data_1va8_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 1va8 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.14 123.07 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 m -107.73 149.24 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -106.61 124.62 49.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.466 ' CG2' HG21 ' A' ' 101' ' ' THR . 5.1 mp -98.37 133.49 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -141.72 118.08 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -89.97 113.5 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 67' ' ' LEU . 25.9 mt -109.65 135.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -94.19 118.9 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 98' ' ' GLY . 8.5 mtpm? -123.31 118.96 28.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.447 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -60.05 170.03 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -74.26 -0.71 17.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -147.49 33.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.447 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mm -117.8 126.47 27.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.34 37.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.1 tp -71.85 -51.15 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.79 37.01 61.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -144.52 120.76 10.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.769 . . . . 0.0 109.239 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.0 m -86.09 150.62 24.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.414 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 3.2 m -142.17 143.83 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.83 165.89 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.22 99.63 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.586 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.4 OUTLIER -80.9 164.71 22.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.586 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.3 mmt -19.26 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -153.58 23.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.2 m -132.99 153.52 51.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.1 t -101.37 97.08 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 51' ' ' ILE . 1.9 mp -99.79 157.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 53' ' ' SER . 13.2 mm -70.31 145.65 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -113.99 -45.92 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.954 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.467 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -155.08 161.5 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.467 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 36.9 mm -121.28 124.89 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -89.33 146.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -77.79 150.62 34.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.86 5.76 62.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.74 152.4 24.92 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.37 65.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -66.54 -57.64 6.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.62 -54.66 42.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -40.18 -67.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.6 p -58.24 -36.36 73.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.84 44.88 88.03 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 7.9 mt -115.47 1.17 13.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.455 HD12 ' CD1' ' A' ' 31' ' ' ILE . 8.1 mt -127.24 127.97 45.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -133.65 156.05 48.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.93 124.35 20.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.85 -11.69 22.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.3 136.42 47.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 21.8 tt0 -104.31 124.17 48.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.6 t -86.81 134.05 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -122.03 -56.15 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -137.62 142.35 41.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.451 HD13 ' CD2' ' A' ' 102' ' ' PHE . 19.3 mt -133.93 103.12 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 0.9 OUTLIER 77.05 1.23 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 121.49 -25.67 6.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.12 138.17 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.81 152.93 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.0 mm -126.55 -44.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 114.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.78 -31.52 8.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -56.97 178.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -112.42 154.9 25.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.519 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 27.0 m -49.9 -49.37 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -47.65 80.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -51.74 67.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.6 t -57.05 -45.6 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.519 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 20.1 m-85 -64.67 -46.63 81.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -26.79 68.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 -69.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' MET . 62.9 mt -48.47 -56.93 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.9 t -41.75 -40.78 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.95 -41.92 63.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.47 ' CE ' HD23 ' A' ' 100' ' ' LEU . 20.8 mtm -77.81 162.42 26.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.18 148.36 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 103.32 -170.09 19.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -67.17 102.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.47 HD23 ' CE ' ' A' ' 96' ' ' MET . 0.5 OUTLIER -100.39 136.82 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.466 HG21 ' CG2' ' A' ' 28' ' ' ILE . 54.9 m -88.08 99.93 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.455 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 60.0 m-85 -87.11 116.92 25.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.51 94.8 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.488 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -134.03 161.91 33.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.8 mt -105.19 128.84 25.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.96 5.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.49 127.64 26.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 34.0 m -112.91 149.6 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -113.54 110.68 20.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.409 HG12 ' CG2' ' A' ' 103' ' ' VAL . 65.3 mt -83.17 132.06 32.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.02 118.63 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -88.38 108.83 19.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 69.2 mt -105.17 137.52 34.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -87.88 129.38 35.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.493 ' CE ' ' HA ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -131.27 135.5 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.87 170.11 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 6.8 ttt180 -79.88 5.63 13.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -154.68 35.13 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -117.43 125.43 28.14 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.89 14.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.493 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 1.1 tp -41.3 -58.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.75 36.13 33.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.31 121.45 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -87.55 156.34 19.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 m -139.59 154.76 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.88 166.07 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.9 98.03 8.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.3 mm-40 -82.32 164.84 20.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.565 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.2 mmt -22.31 -58.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -152.31 23.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.5 m -132.42 153.3 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.3 t -102.27 92.79 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.6 mp -97.45 154.11 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mm -63.62 150.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.6 p -121.19 -44.05 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 15.9 ttt180 -153.4 160.96 42.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 62' ' ' GLU . 28.0 mm -123.84 118.0 52.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.4 t -81.68 148.18 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.147 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -75.16 152.92 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.04 9.82 43.17 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.03 131.58 10.49 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.76 -35.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . . . -68.06 -57.2 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.448 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 4.7 tt0 -53.47 -57.27 11.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -39.61 -66.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.419 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 9.8 p -59.64 -28.3 67.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 59.84 19.02 48.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . 33.2 mt -79.74 -9.54 59.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 4.5 mt -122.63 128.82 51.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -133.39 149.93 51.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -52.61 130.41 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.82 -15.62 31.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.05 143.27 57.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 23.6 tt0 -110.05 117.77 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.22 132.5 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 72' ' ' GLU . 23.9 mt -124.57 -52.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -136.0 144.31 45.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.6 mt -140.37 102.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.52 21.82 5.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.83 -29.38 12.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.447 HG23 ' CD2' ' A' ' 92' ' ' LEU . 4.4 mp -71.04 132.77 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.73 158.6 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.0 mm -130.02 -47.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.428 ' NH1' HD22 ' A' ' 74' ' ' LEU . 2.5 ttt85 -38.15 122.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.75 -41.46 2.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -46.58 165.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -97.78 159.4 14.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.8 m -56.19 -51.95 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -47.15 80.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.7 -50.51 65.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.358 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.5 t -59.0 -53.65 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -53.7 -40.12 65.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -67.45 -30.76 70.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.447 ' CD2' HG23 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -68.84 -67.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.8 mm? -42.86 -61.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.19 -56.69 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.28 -40.62 74.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.7 mtm -79.32 162.59 25.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.69 160.05 25.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.597 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 92.65 -162.08 26.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 m -69.79 97.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -91.26 137.85 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.5 m -93.49 99.39 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 73.6 m-85 -87.23 116.57 25.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.409 ' CG2' HG12 ' A' ' 28' ' ' ILE . 5.1 t -108.04 94.39 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -137.07 165.5 25.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.406 ' CD1' HD11 ' A' ' 74' ' ' LEU . 3.8 mt -107.17 127.1 28.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.85 124.75 16.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.415 HG13 ' CD1' ' A' ' 74' ' ' LEU . 3.0 m -110.12 142.53 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -98.42 119.58 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.89 117.5 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -121.24 117.72 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -93.7 111.06 22.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.604 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 91.9 mt -107.34 140.99 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -96.45 118.72 33.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 98' ' ' GLY . 24.6 mtpt -124.5 133.78 53.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.69 172.29 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -82.05 19.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -166.71 31.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -116.34 127.48 26.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.52 38.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.31 -56.84 11.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.428 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 75.5 37.4 41.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.71 117.89 9.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -85.85 151.52 23.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.408 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 2.5 m -135.62 151.91 30.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -108.3 162.47 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -96.58 122.92 40.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.594 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.9 mm-40 -110.31 164.84 12.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.594 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.8 mmt -18.76 -58.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' GLU . 24.6 m-20 -155.54 24.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.4 m -133.38 153.62 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -104.22 97.12 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp -96.94 158.29 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 53' ' ' SER . 15.4 mm -69.88 146.13 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 52' ' ' ILE . 9.7 p -117.35 -43.76 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 9.8 ttt180 -154.71 161.7 41.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.417 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 45.2 mm -123.14 119.88 58.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.428 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 5.5 t -83.63 145.65 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 146.91 33.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.45 -4.17 69.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.69 152.37 44.29 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.63 -25.14 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.33 -53.14 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' LYS . 11.0 tt0 -57.55 -58.87 6.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 10.0 mttm -39.85 -66.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -57.54 -32.98 67.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.32 44.13 97.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.441 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 32.1 mt -104.77 -11.3 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.604 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.3 mm? -109.75 128.14 55.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -133.52 132.33 40.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -43.95 121.93 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.244 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.05 -9.36 25.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.47 135.41 44.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 0.737 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.6 tt0 -104.5 128.38 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.435 HG12 ' CB ' ' A' ' 81' ' ' ILE . 19.0 t -90.09 138.85 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.415 ' CD1' HG13 ' A' ' 26' ' ' VAL . 32.5 mt -125.71 -53.38 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -139.86 146.29 39.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.8 mt -138.89 114.4 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 60.78 21.34 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.87 -27.05 22.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.422 HG23 ' CD2' ' A' ' 92' ' ' LEU . 4.8 mp -70.98 136.33 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.31 153.88 40.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.435 ' CB ' HG12 ' A' ' 73' ' ' VAL . 2.0 mm -128.84 -45.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -42.21 116.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.16 -36.47 4.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' ILE . 44.8 mttm -51.19 167.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.34 160.39 14.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.545 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 21.7 m -55.04 -51.07 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.418 ' N ' HG22 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -57.39 -46.89 82.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -49.92 70.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.54 -55.53 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.545 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 22.6 m-85 -52.02 -46.37 64.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -33.24 75.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.422 ' CD2' HG23 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -64.79 -67.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 102' ' ' PHE . 1.5 mm? -44.25 -60.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -38.13 -54.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.21 -44.44 88.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 93' ' ' LEU . 10.7 mtm -75.78 161.98 28.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.44 155.83 22.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.596 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 97.4 -163.47 21.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 m -69.96 97.63 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.476 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -94.69 135.85 35.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.2 m -91.27 105.08 17.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.406 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 93' ' ' LEU . 70.8 m-85 -93.02 118.84 31.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.411 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 3.0 t -107.09 94.57 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.39 157.42 46.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.0 mt -102.16 129.07 27.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 118.14 5.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.39 125.23 15.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 m -112.3 137.84 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -103.19 111.85 24.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.1 mp -82.03 130.9 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.79 121.68 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -98.1 123.91 42.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.507 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 2.7 mt -114.53 132.77 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -88.17 110.12 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' GLY . 16.8 mtpt -115.02 154.2 29.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.08 172.07 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.545 ' HA ' ' CG ' ' A' ' 97' ' ' HIS . 26.7 mtm180 -84.75 29.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.13 33.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.67 126.92 25.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 145.43 31.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.8 tp -61.56 -56.27 21.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.463 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 72.43 38.39 58.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.28 117.21 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -86.94 153.81 21.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.44 146.2 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.18 164.86 11.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -97.28 122.86 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.598 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.4 mm-40 -107.46 165.35 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -18.37 -58.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.4 m-20 -156.81 24.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 m -134.12 153.44 51.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.42 103.3 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.554 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.4 mp -105.58 156.61 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.427 ' N ' HG21 ' A' ' 51' ' ' ILE . 29.9 mm -69.56 145.51 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.15 -46.63 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 6.0 ttt180 -148.2 163.16 37.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.451 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 44.4 mm -126.68 119.31 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.463 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 9.6 t -84.06 148.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -79.64 149.07 31.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.86 -5.47 61.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.54 150.32 39.84 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.74 -22.52 64.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 0.782 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.97 -60.63 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 9.3 tt0 -48.71 -61.29 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -39.16 -69.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.02 -49.23 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.96 14.44 67.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.37 -22.93 40.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.507 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 2.6 mm? -103.27 121.48 42.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -133.66 153.67 51.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.581 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.84 115.72 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 119.78 -6.65 12.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.25 135.04 36.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 31.6 tt0 -101.53 128.46 47.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.2 t -94.87 140.01 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ILE . 6.9 mt -129.42 -54.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -135.83 143.26 45.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.335 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.1 mt -136.05 106.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.75 14.57 9.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.44 -27.91 10.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.425 ' CG2' HD21 ' A' ' 92' ' ' LEU . 3.3 mp -71.58 130.93 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.451 ' O ' ' CE ' ' A' ' 84' ' ' LYS . 1.3 mt-10 -69.15 155.71 39.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.4 mm -128.39 -49.31 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -39.7 126.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.54 -48.83 2.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.451 ' CE ' ' O ' ' A' ' 80' ' ' GLU . 40.6 mttm -40.99 160.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 17.1 t0 -90.74 159.48 16.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.4 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 31.2 m -55.74 -49.07 76.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -46.44 88.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.55 -50.82 62.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.1 t -59.45 -56.75 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -50.47 -40.38 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -33.62 75.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.425 HD21 ' CG2' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -66.34 -66.79 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 102' ' ' PHE . 2.5 mm? -43.14 -60.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.615 ' O ' ' CE1' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -43.28 -52.32 5.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 110.0 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -59.07 -32.82 70.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.552 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 12.2 mtm -89.49 162.4 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.615 ' CE1' ' O ' ' A' ' 94' ' ' SER . 90.4 m-70 -159.89 164.13 33.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 87.69 -163.31 33.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 35.4 m -71.81 98.93 2.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -98.39 137.94 36.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.4 m -90.34 107.87 19.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 93' ' ' LEU . 41.7 m-85 -93.57 116.57 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.1 94.32 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.94 161.73 35.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.4 mt -107.6 122.57 40.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 115.74 4.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.88 124.67 28.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.87 144.71 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -104.82 116.94 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.27 132.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.75 118.5 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -97.63 125.98 42.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.489 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 95.1 mt -120.87 142.36 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -91.83 109.43 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.76 129.27 55.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.426 ' CB ' HG13 ' A' ' 37' ' ' ILE . . . -75.12 169.77 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -77.8 1.44 20.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.342 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.99 37.04 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.426 HG13 ' CB ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -119.2 127.46 26.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 153.11 41.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 tp -67.81 -57.78 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.5 38.06 45.28 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 61' ' ' ALA . . . -144.37 120.25 10.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -86.81 153.87 21.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.8 143.82 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.7 162.62 12.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.37 99.16 10.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.8 mm-40 -80.9 165.05 22.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.581 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.9 mmm -19.79 -59.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -155.23 24.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.1 m -133.13 153.37 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.4 t -101.49 102.62 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.4 mp -107.5 153.78 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.3 mm -68.12 144.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -44.78 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -154.37 159.16 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.452 ' CG2' ' HB2' ' A' ' 62' ' ' GLU . 32.2 mm -120.65 121.6 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -86.56 146.07 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -76.84 147.89 36.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.38 -2.87 64.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.155 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.21 148.47 31.31 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -29.37 59.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.43 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . . . -69.11 -56.02 8.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 13.7 tt0 -61.67 -51.39 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -40.1 -67.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.5 p -64.98 -36.34 84.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.38 40.21 55.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.573 1.171 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . 7.0 mt -97.7 -16.8 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.489 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.3 mm? -103.89 131.66 50.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -133.69 137.56 45.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.46 114.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.02 -3.15 16.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -80.89 130.76 35.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 24.7 tt0 -96.3 131.8 42.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.6 t -99.6 133.72 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.371 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' ILE . 23.1 mt -119.98 -52.15 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.37 151.45 49.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.9 mt -139.74 103.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.01 13.73 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.85 -27.45 9.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG2' HD23 ' A' ' 92' ' ' LEU . 2.7 mp -70.74 133.62 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.57 157.62 36.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.5 mm -134.15 -46.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.413 ' NH1' HD22 ' A' ' 74' ' ' LEU . 2.3 ttt85 -39.87 120.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.31 -41.22 2.61 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' ILE . 24.8 mttm -45.46 154.48 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -88.69 160.06 17.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.524 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 29.7 m -53.03 -50.58 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -47.72 77.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.28 -50.42 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.64 -55.89 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.524 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 19.8 m-85 -51.38 -54.01 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.68 -47.74 76.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.442 HD23 ' CG2' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -45.58 -71.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 96' ' ' MET . 92.3 mt -47.66 -51.52 21.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.95 -58.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.52 -39.5 84.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.3 mtm -75.46 161.33 29.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.8 151.33 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.606 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.73 -168.86 20.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.7 m -65.71 97.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -95.48 138.73 32.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.2 m -93.82 106.76 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -92.6 117.13 29.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 t -102.31 94.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -134.49 161.07 36.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.8 mt -106.87 122.95 40.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.65 4.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.82 122.89 23.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.4 m -110.24 133.38 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -97.12 117.7 31.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.471 ' CG2' HG23 ' A' ' 101' ' ' THR . 5.1 mp -91.84 147.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.16 118.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -88.9 113.55 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.597 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 67.6 mt -104.79 138.02 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.405 ' N ' HG21 ' A' ' 31' ' ' ILE . 6.8 mt-10 -97.36 119.98 36.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' CG ' ' CB ' ' A' ' 60' ' ' ALA . 7.6 mtpm? -127.33 136.61 52.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.93 171.92 13.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 1.0 OUTLIER -80.49 38.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 170.73 40.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.88 126.56 26.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.03 34.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.497 ' CD1' ' CB ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -60.74 -52.08 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.1 35.98 57.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.19 118.12 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -86.21 152.16 23.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' A' ' 90' ' ' PHE . 1.7 m -141.13 156.4 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 55.0 mtp180 -100.89 156.27 17.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.349 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.93 97.76 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -82.79 164.71 20.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.543 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 mmt -24.18 -58.76 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -151.18 23.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.3 m -132.68 153.59 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.471 ' CG1' HG22 ' A' ' 43' ' ' VAL . 55.5 t -108.25 100.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.425 HD11 ' N ' ' A' ' 51' ' ' ILE . 3.2 mp -104.01 145.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mm -64.46 162.24 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.468 ' HB2' ' CG ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -140.31 -54.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -131.8 146.7 52.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.9 mm -116.49 106.02 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.4 146.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -82.15 156.51 24.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.404 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . 77.82 -2.4 64.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.66 156.05 34.42 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.484 ' CB ' ' CG ' ' A' ' 33' ' ' LYS . . . -66.07 -22.34 66.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 39' ' ' LEU . . . -74.92 -53.18 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 3.9 tt0 -55.85 -66.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLU . 5.1 mttp -39.97 -60.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.6 p -55.16 -37.06 66.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 62.53 44.21 97.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.34 -12.02 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.597 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 2.6 mm? -106.69 131.02 54.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -133.47 132.72 41.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.565 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -47.48 114.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.65 5.04 18.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.65 124.71 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 25.3 tt0 -89.59 129.15 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.428 ' CG1' HG13 ' A' ' 81' ' ' ILE . 18.3 t -87.28 134.59 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -126.67 -54.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -133.0 142.44 48.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.409 HG21 ' CE ' ' A' ' 96' ' ' MET . 25.6 mt -135.92 102.84 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 100' ' ' LEU . 1.3 t-20 69.95 19.08 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.22 -23.67 28.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 mp -79.53 130.27 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.45 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 2.4 tt0 -71.39 161.4 31.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.5 mm -126.59 -43.67 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.438 ' CD ' HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -40.7 118.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.33 -17.47 51.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 80' ' ' GLU . 21.3 mttp -74.61 165.39 25.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -97.77 138.26 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.506 HG23 ' CG2' ' A' ' 43' ' ' VAL . 1.5 p -40.31 -49.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.48 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -60.07 -45.94 91.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.8 OUTLIER -52.45 -49.34 64.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 37.0 t -56.76 -48.34 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.56 ' CE1' HG23 ' A' ' 43' ' ' VAL . 23.3 m-30 -57.25 -32.3 66.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.06 -37.35 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 95' ' ' ASP . 0.2 OUTLIER -54.81 -64.28 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 87.2 mt -49.77 -46.54 50.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -17.97 9.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.8 m-20 -105.8 13.66 29.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . 24.2 mtm -135.1 148.44 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.532 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 2.0 m-70 -150.31 155.1 39.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.24 -170.12 23.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 m -68.07 102.4 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 110.441 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 96' ' ' MET . 0.3 OUTLIER -100.69 141.34 33.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.471 HG23 ' CG2' ' A' ' 28' ' ' ILE . 40.1 m -93.1 101.09 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -85.0 116.85 23.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.54 94.92 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -136.74 156.54 48.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.7 mt -104.37 127.44 29.08 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.99 5.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.933 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.78 122.49 36.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.0 m -116.87 154.17 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -112.14 113.4 25.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.9 mp -80.11 129.44 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -132.41 117.86 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -92.98 111.52 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 75.6 mt -104.77 136.93 36.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.405 ' N ' HG21 ' A' ' 31' ' ' ILE . 16.9 mt-10 -88.79 119.71 29.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 98' ' ' GLY . 2.5 tttt -125.51 146.02 49.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.407 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . . . -93.64 169.66 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtm105 -80.67 5.02 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.03 19.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.407 ' HB ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -112.03 125.12 30.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 149.03 35.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.771 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.56 -58.42 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.57 38.49 24.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . . . -145.19 119.29 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -88.81 153.16 21.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.347 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.403 HG22 ' CG1' ' A' ' 50' ' ' VAL . 3.0 m -138.93 156.22 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -109.2 161.99 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.7 101.35 12.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.584 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -87.85 164.71 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.584 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -20.22 -58.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -154.35 23.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.409 ' CB ' ' OE1' ' A' ' 72' ' ' GLU . 74.7 m -132.97 153.66 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.403 ' CG1' HG22 ' A' ' 43' ' ' VAL . 39.5 t -102.86 92.14 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.8 mp -94.77 145.48 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 69' ' ' GLU . 17.4 mm -59.9 146.5 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 p -119.15 -44.26 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 10.1 ttt-85 -151.57 159.31 44.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.42 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 43.9 mm -124.32 121.7 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 t -81.87 143.28 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -78.83 138.37 38.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' LYS . . . 84.86 1.69 88.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.61 144.84 23.44 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.64 -30.54 5.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . . . -66.74 -55.06 16.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.21 -47.87 80.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -45.05 -67.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.5 p -57.72 -48.34 79.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.6 44.34 7.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 17.8 mt -113.69 -6.62 13.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 0.753 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 31' ' ' ILE . 4.4 mt -120.54 126.14 49.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -133.9 156.07 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.629 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 64.0 mt-10 -62.07 124.81 21.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.37 -5.4 28.31 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -80.91 134.24 35.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 28.7 tt0 -100.52 132.19 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.415 ' CG1' HG13 ' A' ' 81' ' ' ILE . 10.2 t -99.6 141.34 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.52 -47.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -142.72 150.04 39.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 81' ' ' ILE . 73.4 mt -143.41 109.93 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.66 11.64 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.75 -27.17 9.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.96 135.0 28.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.21 142.37 43.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.46 ' CD1' HD13 ' A' ' 76' ' ' ILE . 5.6 mm -113.03 -23.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -53.36 119.91 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . 87.05 -42.81 3.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' GLY . 29.1 mttm -40.05 118.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -55.03 172.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 15.6 m -66.0 -44.61 92.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -61.01 -47.75 84.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -51.4 45.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.93 -56.03 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.539 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 19.6 m-30 -50.62 -51.1 51.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -34.08 74.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -69.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.507 HD12 ' CE2' ' A' ' 102' ' ' PHE . 1.4 mm? -43.93 -59.94 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -38.1 -53.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.012 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -59.64 -44.94 93.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 12.4 mtm -75.16 165.35 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -161.78 174.54 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 78.22 -166.71 52.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.14 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.4 m -68.3 97.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -91.32 142.91 27.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.5 m -95.74 99.63 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 60.7 m-85 -88.09 117.94 27.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.3 t -106.1 94.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -137.15 160.92 37.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 mt -104.49 124.16 38.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 115.89 4.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.07 122.82 17.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.43 138.42 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -99.82 115.49 29.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.467 ' CG2' HG21 ' A' ' 101' ' ' THR . 4.6 mp -86.26 146.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -150.68 118.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -91.23 108.06 19.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 81.2 mt -101.46 137.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 31' ' ' ILE . 30.8 mt-10 -90.15 119.64 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.687 ' HZ2' ' N ' ' A' ' 39' ' ' LEU . 2.8 mtpp -119.96 125.34 48.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.58 172.6 8.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -81.06 20.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -174.18 34.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.45 123.32 28.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . 0.507 ' C ' ' NZ ' ' A' ' 33' ' ' LYS . 18.3 Cg_endo -75.0 157.86 42.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.687 ' N ' ' HZ2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -64.91 -58.28 6.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.37 35.23 26.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.4 122.71 13.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.767 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -85.41 150.64 24.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.522 HG22 ' CE1' ' A' ' 90' ' ' PHE . 1.4 m -139.6 148.69 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.59 158.6 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -95.2 124.04 39.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.587 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -107.04 165.06 11.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.587 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.9 mmm -19.66 -57.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.4 m-20 -153.23 22.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.4 m -133.3 153.53 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.67 100.94 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp -102.15 154.04 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.432 ' CG2' ' HA ' ' A' ' 69' ' ' GLU . 3.9 mm -68.59 149.32 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.82 -46.88 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 4.7 ttt180 -150.05 162.95 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.436 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 13.2 mm -127.32 120.18 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 t -82.62 147.18 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -91.91 134.99 34.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.09 -9.25 56.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.65 -174.14 41.43 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.82 -40.68 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.786 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.525 ' CB ' ' CD1' ' A' ' 39' ' ' LEU . . . -59.67 -55.14 38.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -48.09 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 3.5 mttt -38.14 -65.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.9 p -45.45 -44.02 11.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.99 33.56 84.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.44 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 9.9 mt -105.58 -1.47 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 31' ' ' ILE . 4.5 mt -127.35 129.69 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.76 153.58 51.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.545 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.432 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 31.3 mt-10 -60.25 130.36 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.55 -3.5 36.86 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -84.22 128.48 34.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.3 tt0 -92.32 130.4 38.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.9 t -90.87 138.79 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -126.68 -55.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -134.92 144.76 47.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.3 mt -137.81 106.92 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 69.87 9.52 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.75 -27.2 8.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.1 138.62 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.45 156.44 36.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.5 mm -126.61 -45.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.409 ' NE ' HD21 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -39.34 115.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.35 -43.46 1.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.8 mttm -44.89 133.9 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -58.83 141.2 53.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.459 HG21 ' CG2' ' A' ' 43' ' ' VAL . 7.4 p -47.66 -31.87 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.488 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -76.23 -43.28 42.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -49.29 -43.05 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.15 -53.61 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.522 ' CE1' HG22 ' A' ' 43' ' ' VAL . 22.9 m-30 -46.51 -54.32 9.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' LEU . 1.2 t0 -58.54 -53.38 59.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -39.51 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.6 mt -50.67 -42.37 56.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -16.16 19.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -114.78 23.23 12.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.462 ' CE ' HD23 ' A' ' 100' ' ' LEU . 19.7 mtm -134.74 147.05 49.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.45 155.02 41.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.93 -177.84 31.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -66.26 108.63 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -102.53 143.66 31.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 28' ' ' ILE . 13.0 m -95.55 101.78 13.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -83.97 118.39 23.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.77 94.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -139.52 159.85 41.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.4 mt -107.42 129.97 23.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 119.53 5.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.91 122.25 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.97 137.2 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -102.65 110.7 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.478 ' CG2' HG22 ' A' ' 101' ' ' THR . 4.6 mp -81.6 124.06 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -126.83 119.34 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -94.52 116.35 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 76.1 mt -108.02 136.11 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -93.14 114.82 27.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 98' ' ' GLY . 7.9 mtpm? -121.27 130.33 53.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.93 172.24 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -81.53 17.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -163.68 31.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.45 129.41 25.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.63 42.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.469 HD23 ' CD1' ' A' ' 93' ' ' LEU . 25.8 tp -66.24 -58.76 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 75.55 36.74 42.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.097 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.22 116.88 8.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -85.65 158.18 20.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.42 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 3.5 m -148.01 146.48 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.26 163.18 12.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 98.35 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.579 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.1 mm-40 -81.26 164.85 21.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.579 ' C ' ' O ' ' A' ' 46' ' ' GLU . 4.4 mmm -20.07 -58.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -155.06 24.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.8 m -132.8 153.06 51.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -103.0 98.44 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.447 HD13 ' N ' ' A' ' 51' ' ' ILE . 2.0 mp -102.64 151.61 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 53' ' ' SER . 39.9 mm -64.09 143.65 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -114.55 -45.66 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.1 ttt-85 -153.2 160.59 42.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 40.6 mm -122.38 120.61 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.42 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 11.5 t -84.67 144.64 9.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -82.62 137.84 34.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 57' ' ' LYS . . . 91.91 3.62 67.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.89 164.76 32.78 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.39 -20.77 63.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 67' ' ' LEU . . . -75.22 -51.39 13.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.12 -64.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.89 -64.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -54.89 -49.63 70.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.84 46.63 16.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.482 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 17.4 mt -115.07 -8.38 12.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 31' ' ' ILE . 1.8 mt -120.93 125.67 48.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -134.39 156.99 47.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.623 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -62.1 114.04 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.05 -10.59 8.81 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -77.33 134.69 38.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 20.1 tt0 -101.61 133.7 45.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.41 ' CG1' HG13 ' A' ' 81' ' ' ILE . 30.8 t -98.72 140.9 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.28 -51.3 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -137.87 144.56 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.8 mt -135.52 107.14 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 64.58 13.59 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.68 -24.01 14.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.0 mp -72.38 133.25 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.238 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.31 151.23 41.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' LYS . 4.0 mm -123.35 -42.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.31 114.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . 96.84 -45.57 1.81 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.0 mttm -40.32 135.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 10.0 t70 -68.92 159.5 32.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.495 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 19.0 m -55.53 -41.98 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.406 ' N ' HG21 ' A' ' 86' ' ' VAL . 1.7 m-20 -63.67 -47.75 79.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.31 -51.89 31.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 81' ' ' ILE . 55.6 t -58.67 -58.46 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 20.3 m-85 -49.4 -52.22 29.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -42.43 92.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.26 -71.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' A' ' 39' ' ' LEU . 88.4 mt -45.92 -51.08 13.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.11 -57.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.954 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.79 -39.03 87.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.476 ' CE ' HD23 ' A' ' 100' ' ' LEU . 14.1 mtm -75.25 160.8 29.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.81 149.44 14.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 101.25 -168.18 19.78 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.7 m -67.16 97.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.431 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -94.21 138.64 32.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.478 HG22 ' CG2' ' A' ' 28' ' ' ILE . 5.1 m -90.97 99.94 12.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 74.4 m-85 -89.13 118.35 28.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.9 t -102.2 94.74 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.7 160.34 39.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 mt -108.86 127.2 27.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.77 5.38 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.9 124.3 19.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.6 m -107.77 161.32 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -120.23 118.96 31.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.78 110.9 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -116.99 117.86 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -94.14 119.08 32.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.497 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 64.6 mt -117.26 139.0 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -86.83 119.11 26.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.45 ' CE ' ' HA ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -117.64 159.33 23.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.432 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . . . -108.46 169.84 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG2' ' CG ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -81.32 5.18 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.0 24.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.432 ' HB ' ' CB ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -112.39 123.08 34.92 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.23 18.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.45 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 7.8 tp -46.6 -51.83 14.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.95 35.27 45.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . . . -145.63 122.7 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -85.66 154.0 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 90' ' ' PHE . 1.4 m -145.14 146.06 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.62 158.29 17.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -95.48 119.51 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.592 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.7 mm-40 -102.65 164.93 11.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.592 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 mmt -19.53 -57.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.6 m-20 -154.9 23.66 0.44 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.1 m -133.6 153.48 51.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.64 105.07 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.9 mp -107.25 152.78 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 53' ' ' SER . 10.5 mm -67.37 148.55 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -117.54 -49.48 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.953 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 13.8 ttp-105 -148.21 159.38 44.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.482 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 37.3 mm -122.42 114.89 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 t -80.74 147.46 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -78.46 155.91 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.421 ' HA2' ' CE ' ' A' ' 63' ' ' LYS . . . 65.27 9.78 44.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.61 143.48 19.22 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.05 -26.25 15.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.95 -44.5 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' LYS . 4.6 tt0 -70.72 -52.77 18.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.421 ' CE ' ' HA2' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -39.16 -62.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.7 p -62.43 -44.09 97.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.83 38.18 24.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.155 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.477 ' CD1' HG13 ' A' ' 31' ' ' ILE . 7.2 mt -98.9 -12.87 20.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 0.742 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.497 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.7 mm? -105.02 130.6 53.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -133.54 129.6 37.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -45.75 126.39 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.16 1.79 35.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.539 1.149 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.76 129.2 34.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.0 tt0 -94.88 128.68 41.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.447 ' CG1' HG13 ' A' ' 81' ' ' ILE . 39.4 t -88.87 137.75 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.426 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -124.98 -49.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.74 145.78 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.457 HG21 ' CE ' ' A' ' 96' ' ' MET . 77.4 mt -138.42 109.4 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 68.07 12.89 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.05 -27.93 10.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.7 137.47 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.453 ' O ' ' CE ' ' A' ' 84' ' ' LYS . 4.6 tt0 -76.23 148.51 37.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.447 HG13 ' CG1' ' A' ' 73' ' ' VAL . 3.5 mm -116.64 -43.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.426 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -38.23 114.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.14 -44.58 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 80' ' ' GLU . 22.7 mttm -42.66 141.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . 9.9 t0 -70.97 140.53 50.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.481 HG23 ' CG2' ' A' ' 43' ' ' VAL . 7.9 p -43.96 -34.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.42 -42.62 53.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -50.92 -45.44 60.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.5 -50.01 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 43' ' ' VAL . 13.5 m-30 -54.52 -48.11 72.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -30.9 71.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -69.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.2 mm? -41.88 -60.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.49 -52.33 1.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -44.03 97.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.5 mtm -74.09 164.21 26.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 35' ' ' ARG . 1.5 p80 -164.2 159.83 20.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.63 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.39 -164.17 28.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.7 m -68.48 97.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -92.15 141.14 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 m -96.7 103.12 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 77.2 m-85 -92.65 119.98 32.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.8 t -111.35 94.84 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -131.79 163.82 27.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mt -108.3 128.83 24.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.38 5.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.967 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.7 126.22 18.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.2 m -109.7 136.5 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.98 114.27 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.537 ' CG2' ' CG2' ' A' ' 101' ' ' THR . 4.9 mp -87.66 146.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -147.86 119.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -99.09 115.81 29.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.508 HD12 ' CD2' ' A' ' 67' ' ' LEU . 70.1 mt -113.9 134.05 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -83.07 106.49 14.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HG3' ' CB ' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -108.23 159.32 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.69 169.87 8.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG2' ' CG ' ' A' ' 97' ' ' HIS . 4.9 mtm180 -82.53 7.94 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -147.37 21.63 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -113.78 130.18 24.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.84 38.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 tp -76.72 -57.83 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 73.37 39.61 50.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . . . -145.54 119.12 9.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.6 m -85.67 147.78 26.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.563 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 1.5 m -140.94 150.09 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.512 ' CG ' ' CB ' ' A' ' 53' ' ' SER . 36.7 mtp180 -104.85 152.19 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -96.29 110.07 22.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.591 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.2 mm-40 -92.41 164.5 13.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.591 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.0 mmt -20.15 -56.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.6 m-20 -155.07 23.29 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.7 m -132.88 153.76 51.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.481 HG11 ' CG1' ' A' ' 73' ' ' VAL . 3.3 t -104.04 112.75 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.6 mp -115.52 134.23 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.452 ' CG2' ' HA ' ' A' ' 69' ' ' GLU . 22.1 mm -56.97 147.19 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.512 ' CB ' ' CG ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -115.23 -52.31 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -149.12 163.82 36.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 37.3 mm -122.4 119.49 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.455 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 10.7 t -86.55 151.99 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.99 153.75 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.37 -0.36 69.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.9 148.12 19.68 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' CB ' ' HG3' ' A' ' 33' ' ' LYS . . . -53.89 -27.97 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . . . -69.96 -57.29 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.65 -50.06 70.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -40.09 -65.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.412 ' OG ' ' CD1' ' A' ' 31' ' ' ILE . 66.0 p -69.15 -34.97 75.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.69 42.24 62.67 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.491 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 11.2 mt -100.52 -11.84 19.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.726 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.508 ' CD2' HD12 ' A' ' 31' ' ' ILE . 3.9 mm? -103.99 131.96 50.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -133.4 135.55 44.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.622 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 46.2 mt-10 -51.72 129.2 25.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.47 -8.78 44.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.14 131.56 42.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 74' ' ' LEU . 33.0 tt0 -105.53 100.34 9.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.481 ' CG1' HG11 ' A' ' 50' ' ' VAL . 1.7 p -77.69 128.16 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 81' ' ' ILE . 8.5 mt -114.53 -29.6 6.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -140.16 141.89 36.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.602 HD13 ' CE2' ' A' ' 102' ' ' PHE . 10.4 mt -134.55 103.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 70.42 10.58 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.19 -25.82 8.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mp -77.57 128.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.427 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 1.4 tt0 -64.57 168.96 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' A' ' 76' ' ' ILE . 0.8 OUTLIER -135.68 -46.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -36.51 121.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . 98.53 -22.69 39.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' NZ ' ' O ' ' A' ' 80' ' ' GLU . 1.7 mttp -67.04 156.45 36.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -92.11 149.84 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.584 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 3.7 p -51.21 -38.62 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -45.53 72.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -56.27 21.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.413 ' CG2' HG22 ' A' ' 81' ' ' ILE . 7.4 t -49.89 -53.64 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 14.9 m-85 -52.44 -48.0 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -42.82 93.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.413 HD12 ' NZ ' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -50.86 -71.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' MET . 81.3 mt -43.42 -53.48 5.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.64 -59.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.5 -39.5 80.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.486 ' CE ' HG21 ' A' ' 76' ' ' ILE . 10.5 mtm -76.68 165.07 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -165.5 173.91 10.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.573 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.13 -167.3 50.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.8 m -65.83 101.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.45 134.08 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.537 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 44.2 m -93.15 100.91 13.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.602 ' CE2' HD13 ' A' ' 76' ' ' ILE . 62.8 m-85 -84.88 123.91 31.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.95 94.37 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.478 ' HB3' ' CA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -133.0 156.37 47.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.2 mt -104.01 126.44 31.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.25 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 111.56 3.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.29 121.85 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 1.7 m -110.18 136.24 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.63 111.96 24.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.431 ' CG2' HG21 ' A' ' 101' ' ' THR . 86.6 mt -88.55 152.67 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -149.3 118.63 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -89.58 104.5 17.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.8 mt -99.45 138.06 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -91.71 107.0 18.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -110.23 160.12 16.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -118.82 169.83 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -82.9 10.54 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -148.96 25.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.15 127.71 26.52 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.02 27.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.8 tp -56.42 -57.55 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 70.05 35.55 71.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . 0.479 ' HB1' ' CB ' ' A' ' 61' ' ' ALA . . . -145.81 120.21 9.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ARG . 3.8 m -85.36 151.57 23.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 90' ' ' PHE . 1.4 m -140.43 149.67 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.494 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 45.0 mtp180 -105.16 149.11 26.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -100.45 110.55 22.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.599 ' O ' ' C ' ' A' ' 47' ' ' MET . 42.2 mm-40 -97.41 165.16 12.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.599 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -18.61 -58.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' GLU . 9.5 m-20 -155.97 25.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 11.2 m -131.12 154.4 48.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.465 HG13 ' CG1' ' A' ' 73' ' ' VAL . 16.6 t -107.33 118.53 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 72' ' ' GLU . 7.3 mm -124.0 132.14 71.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.425 ' CG2' ' HA ' ' A' ' 69' ' ' GLU . 18.0 mm -56.81 141.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.494 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -107.31 -53.74 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.006 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.7 ttt180 -149.32 163.42 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.459 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 49.4 mm -124.04 119.33 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' GLY . 11.0 t -85.01 147.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -78.02 146.66 35.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.09 -9.39 60.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 61' ' ' ALA . . . -79.29 133.75 12.9 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLY . . . -39.78 -30.5 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.479 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . . . -65.85 -60.1 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 4.8 tt0 -60.14 -55.58 32.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -40.72 -62.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.411 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 81.8 p -64.99 -25.16 67.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 57.39 37.81 83.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 9.6 mt -109.57 11.62 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 104' ' ' LEU . 18.7 mt -138.31 123.15 18.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.26 156.66 48.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 50.5 mt-10 -61.68 130.09 44.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.13 -13.03 34.08 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . 0.439 ' CG ' ' CD1' ' A' ' 104' ' ' LEU . 1.6 m-20 -72.21 123.12 22.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 51' ' ' ILE . 43.8 tt0 -100.08 99.37 10.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.49 ' CA ' ' HB3' ' A' ' 104' ' ' LEU . 2.2 p -77.87 132.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD2' ' NH1' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -115.92 -33.36 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.237 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.51 145.75 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.589 HD11 ' CE2' ' A' ' 102' ' ' PHE . 9.8 mt -135.92 110.85 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 59.91 15.1 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.18 -28.93 8.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.405 HG23 ' CD2' ' A' ' 92' ' ' LEU . 3.8 mp -69.86 134.05 30.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.85 167.4 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 76' ' ' ILE . 1.1 mm -137.03 -49.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.466 ' NH1' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -38.29 114.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . 101.25 -43.34 1.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' ILE . 15.6 mttm -42.28 130.18 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 88' ' ' GLU . 28.5 t70 -70.68 150.67 45.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.0 p -43.07 -37.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -44.2 65.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -52.41 -55.79 19.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 81' ' ' ILE . 2.9 t -54.38 -44.27 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 43' ' ' VAL . 13.8 m-30 -63.59 -68.33 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.62 -25.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.42 ' N ' ' C ' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -70.08 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.463 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 60.9 mt -45.83 -53.61 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.0 t -39.06 -57.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -38.78 83.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' LEU . 11.1 mtm -77.91 166.51 22.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -168.57 164.11 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.67 -164.63 33.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.3 m -66.28 99.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 110.452 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.77 137.77 37.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.431 HG21 ' CG2' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -93.38 103.29 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 76' ' ' ILE . 17.3 m-85 -87.13 116.77 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.76 94.01 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.49 ' HB3' ' CA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -134.26 158.49 43.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 32.1 mt -104.3 125.62 33.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 113.07 3.71 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.69 121.1 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.17 139.95 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -98.97 108.8 21.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.35 117.31 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -119.29 121.09 65.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -103.3 120.15 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.57 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 97.3 mt -117.47 143.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -94.78 95.11 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.21 105.18 16.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.25 159.46 12.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HD2' ' CD2' ' A' ' 97' ' ' HIS . 27.1 ttt180 -70.5 -5.76 31.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -126.49 10.29 7.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mm -104.24 129.05 25.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.56 36.93 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 93' ' ' LEU . 2.6 tp -79.74 -56.83 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 65.4 39.49 95.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.29 115.56 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.7 m -85.75 153.92 21.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -146.73 146.68 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 171.61 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.46 107.24 17.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.605 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.9 OUTLIER -88.24 164.75 15.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.605 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.9 mmm -18.2 -60.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.5 m-20 -151.41 21.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.1 m -132.77 153.87 50.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 3.4 t -105.85 113.08 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.7 mp -114.67 153.07 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.73 143.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -42.31 3.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.7 ttt180 -157.56 161.44 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.402 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 36.1 mm -123.74 117.58 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 17.8 t -86.27 134.14 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -70.74 146.44 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' HE3' ' A' ' 57' ' ' LYS . . . 91.18 -6.78 81.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.22 164.55 38.57 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.402 ' O ' ' OG ' ' A' ' 64' ' ' SER . . . -65.59 -44.91 85.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.45 -55.53 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 5.3 tt0 -57.17 -62.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 4.0 mttt -39.93 -68.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -52.53 -53.88 40.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.19 44.89 5.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.488 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . 15.7 mt -112.06 -17.07 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.57 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.2 mm? -103.42 122.6 45.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -133.72 135.77 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -47.08 119.65 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.88 -13.04 17.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.82 133.12 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 25.6 tt0 -101.75 124.3 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.426 ' CG1' HG22 ' A' ' 81' ' ' ILE . 3.5 t -91.61 116.47 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.38 -56.97 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -137.09 151.85 49.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.47 HG23 ' CE ' ' A' ' 96' ' ' MET . 50.8 mt -137.92 109.01 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.24 10.48 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.05 -28.04 8.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mp -73.4 141.35 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.483 ' CB ' ' HE2' ' A' ' 84' ' ' LYS . 2.0 mt-10 -69.49 158.86 34.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 4.5 mm -135.99 -43.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 81' ' ' ILE . 2.4 mtt180 -35.12 -93.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -42.23 -34.52 1.56 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' A' ' 80' ' ' GLU . 15.1 mttm -57.48 133.48 55.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 9.1 t70 -74.84 168.51 19.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 87' ' ' ASN . 16.4 m -60.33 -48.59 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . 0.422 ' N ' HG22 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -57.6 -47.86 81.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.16 -31.61 65.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' A' ' 81' ' ' ILE . 19.7 t -77.97 -52.71 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -53.05 -32.47 47.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -35.18 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -70.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 39' ' ' LEU . 84.6 mt -43.97 -49.55 8.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.44 -57.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -36.46 83.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.47 ' CE ' HG23 ' A' ' 76' ' ' ILE . 2.4 mtm -76.39 165.85 24.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -168.35 -178.63 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.567 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.4 -163.12 53.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 m -69.64 100.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -96.21 132.8 41.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.2 m -88.37 102.45 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 67.0 m-85 -90.52 117.21 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.1 t -101.62 94.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.46 171.49 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.0 mt -122.16 125.99 26.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.5 121.78 20.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.6 m -105.23 139.48 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -107.25 114.86 29.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.528 ' CG2' ' CG2' ' A' ' 101' ' ' THR . 3.6 mp -83.46 153.5 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.62 117.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -92.22 125.54 36.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.599 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 73.3 mt -121.06 134.87 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.82 113.98 26.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HG3' ' CB ' ' A' ' 60' ' ' ALA . 3.3 mtpt -120.65 131.16 54.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.76 171.52 13.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -80.57 9.97 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.69 29.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -117.42 129.07 25.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.47 29.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.445 1.761 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 93' ' ' LEU . 37.7 tp -81.99 -46.49 13.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 63.99 40.01 97.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.26 120.29 10.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 0.722 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.3 m -86.0 147.22 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -136.56 153.38 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 55.8 mtp180 -101.68 173.35 6.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.31 98.91 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.582 ' O ' ' C ' ' A' ' 47' ' ' MET . 4.4 mm-40 -84.94 165.07 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.582 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mmt -20.67 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -153.87 23.98 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.7 m -130.51 154.36 47.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG1' HG11 ' A' ' 73' ' ' VAL . 20.6 t -106.47 113.25 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.418 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 3.0 mp -116.44 145.72 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 53' ' ' SER . 26.3 mm -64.27 143.09 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.469 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -112.61 -48.5 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.4 ttt180 -151.51 163.17 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 41.3 mm -121.78 118.59 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.469 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 11.5 t -82.95 140.72 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 128.59 33.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.97 -14.72 37.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.27 165.26 53.47 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' HG3' ' A' ' 33' ' ' LYS . . . -73.38 -28.29 61.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.779 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -67.05 -46.42 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 5.0 tt0 -58.61 -68.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -39.8 -56.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.405 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 32.6 p -60.37 -38.91 85.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 63.51 39.24 97.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.405 ' HG ' ' CB ' ' A' ' 64' ' ' SER . 11.7 mt -102.04 -16.41 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.4 mm? -104.45 130.39 52.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -133.53 134.45 43.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -47.02 115.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.86 -6.15 18.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.68 121.7 23.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 57.2 tt0 -94.28 126.43 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.498 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -103.05 138.02 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.421 HD22 ' NH1' ' A' ' 82' ' ' ARG . 1.8 mt -121.44 -42.35 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -134.97 143.29 46.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.613 HD13 ' CE2' ' A' ' 102' ' ' PHE . 5.2 mt -133.74 103.98 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.24 8.49 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.9 -24.37 8.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.45 HG22 ' CD1' ' A' ' 92' ' ' LEU . 3.1 mp -70.42 128.57 33.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -77.06 117.29 18.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.486 HD12 ' CD1' ' A' ' 76' ' ' ILE . 1.0 OUTLIER -90.14 -26.34 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.421 ' NH1' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -45.9 105.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.06 -29.51 9.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' ILE . 1.2 mttp -56.2 138.13 50.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.784 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -78.96 170.51 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.168 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.457 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 27.6 m -59.92 -48.82 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -45.19 93.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.17 -51.82 55.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.474 ' CG2' HG22 ' A' ' 81' ' ' ILE . 16.0 t -58.19 -63.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 17.5 m-85 -42.18 -34.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -49.8 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -43.54 -71.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.433 ' CD1' HD22 ' A' ' 39' ' ' LEU . 85.2 mt -44.35 -51.32 8.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.09 -46.0 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.59 -37.32 65.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.453 ' CE ' HD22 ' A' ' 100' ' ' LEU . 13.7 mtm -79.2 170.74 16.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.71 151.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 101.01 -166.95 19.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -66.27 97.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.453 HD22 ' CE ' ' A' ' 96' ' ' MET . 0.5 OUTLIER -96.12 136.99 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 31.8 m -94.23 103.23 15.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.613 ' CE2' HD13 ' A' ' 76' ' ' ILE . 24.6 m-85 -85.31 116.4 23.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.43 93.28 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -136.88 168.61 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 mt -116.62 131.29 23.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 117.0 4.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.79 123.94 21.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.9 m -105.37 140.82 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -97.33 119.41 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 mp -93.56 130.87 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -137.83 117.78 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -92.16 109.29 20.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.242 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CD1' HD11 ' A' ' 67' ' ' LEU . 53.0 mt -102.59 135.18 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.369 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -93.23 117.75 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' GLY . 34.2 mtpt -123.93 132.09 53.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.89 171.45 13.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 2.7 ttt180 -81.48 38.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 171.23 40.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.26 129.42 25.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.46 27.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.63 -44.35 93.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 63.95 33.77 88.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.62 120.3 9.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.1 m -85.59 150.08 24.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.479 ' CG1' HD12 ' A' ' 52' ' ' ILE . 3.8 m -148.46 138.96 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -104.39 149.41 25.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 84' ' ' LYS . 4.5 t-20 -95.15 105.19 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.643 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.7 mm-40 -80.98 169.21 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.643 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.2 mmt -11.54 -65.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.5 m-20 -145.82 18.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 46' ' ' GLU . 48.8 m -133.91 136.84 44.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 73' ' ' VAL . 1.9 p -93.11 110.39 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.5 mp -110.29 150.25 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.479 HD12 ' CG1' ' A' ' 43' ' ' VAL . 28.3 mm -60.03 148.3 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.06 -46.84 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 42' ' ' THR . 2.4 ttt180 -155.29 161.71 41.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 47.1 mm -123.47 120.34 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' GLY . 13.8 t -88.17 142.9 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -75.58 149.25 38.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.43 -1.85 69.53 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.42 152.77 36.3 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.53 -34.37 72.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . . . -61.82 -60.17 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.18 -57.65 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -40.82 -68.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.0 p -53.85 -31.62 50.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.2 43.12 99.8 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 14.3 mt -115.97 9.31 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 15.8 mt -136.07 125.81 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . 0.463 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -133.21 154.29 50.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.91 126.92 29.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.71 -3.97 32.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.82 131.3 35.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 27.3 tt0 -96.82 130.38 44.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.465 ' HB ' ' CG1' ' A' ' 50' ' ' VAL . 35.0 t -101.3 140.04 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -128.31 -45.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.92 141.24 46.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.6 mt -128.97 107.62 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.77 8.3 6.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.09 -24.56 11.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.162 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.65 126.66 32.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.06 140.94 50.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.474 ' O ' ' C ' ' A' ' 82' ' ' ARG . 1.1 mt -118.37 -39.33 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -31.47 110.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.12 16.87 36.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 81' ' ' ILE . 21.7 mttm -98.09 -170.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -127.64 150.91 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.563 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 15.8 m -46.8 -53.42 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.25 -47.84 71.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.98 -47.24 85.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.78 -45.63 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 20.7 m-85 -63.34 -62.54 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -29.08 6.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -70.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' MET . 75.4 mt -48.14 -48.46 34.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.25 -57.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -38.14 86.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 93' ' ' LEU . 15.2 mtm -76.27 163.8 26.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.491 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -166.51 153.74 9.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 96.69 -167.0 24.14 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.6 m -65.82 106.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.515 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -105.07 135.67 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 m -89.83 101.83 14.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 71.0 m-85 -89.32 122.04 32.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.8 98.03 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -137.99 167.76 21.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.13 132.89 23.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 119.02 5.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.973 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.14 122.08 26.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 105' ' ' ILE . 0.6 OUTLIER -119.15 145.37 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -100.73 109.12 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.84 121.88 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -126.76 119.49 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -95.65 115.63 27.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.587 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 69.4 mt -115.3 138.62 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.4 OUTLIER -100.13 133.32 44.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HG2' ' CB ' ' A' ' 60' ' ' ALA . 35.2 mtpt -134.13 146.29 50.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 36' ' ' ASP . . . -75.92 171.55 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 5.2 ttt85 -81.04 30.09 0.33 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 34' ' ' ALA . 31.6 p-10 -179.57 36.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -117.03 127.25 26.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 140.25 25.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.4 tp -59.11 -31.59 69.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.94 40.07 71.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.78 124.85 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -85.51 151.25 24.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.568 HG23 ' CZ ' ' A' ' 90' ' ' PHE . 1.4 m -143.18 143.62 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -105.86 154.75 20.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -94.71 118.75 32.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.598 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.4 mm-40 -99.85 164.92 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mmm -19.36 -58.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' GLU . 15.2 m-20 -152.54 22.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.4 m -132.83 153.74 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.5 t -107.43 104.68 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp -108.05 154.03 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.178 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.402 ' N ' HG23 ' A' ' 51' ' ' ILE . 9.3 mm -67.84 147.74 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -115.69 -48.46 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 0.8 OUTLIER -150.11 162.86 39.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.415 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 42.2 mm -124.17 118.8 54.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -84.69 148.98 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.62 151.46 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.44 3.51 62.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.428 ' O ' ' CG ' ' A' ' 63' ' ' LYS . . . -84.77 150.57 25.44 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 33' ' ' LYS . . . -54.31 -45.75 72.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.76 -61.42 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' LYS . 10.8 tt0 -55.84 -52.18 64.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -39.31 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.4 p -57.2 -39.02 74.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.75 40.68 36.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.486 ' CD1' HG13 ' A' ' 31' ' ' ILE . 6.4 mt -104.38 -14.63 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.5 mm? -103.68 130.14 51.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -133.07 138.05 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -51.22 125.82 15.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.05 1.83 38.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.02 128.54 34.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 24.1 tt0 -95.42 129.48 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 76' ' ' ILE . 15.4 t -92.03 132.17 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -122.23 -46.92 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -142.92 142.23 31.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 34.2 mt -135.61 102.17 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 1.4 t-20 85.99 -35.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.09 -25.67 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.8 150.19 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -81.78 148.41 28.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mm -118.15 -41.47 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.25 107.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.18 -14.72 30.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -74.77 157.37 35.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.1 t0 -81.38 137.35 35.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.485 HG23 ' CG2' ' A' ' 43' ' ' VAL . 7.8 p -41.11 -45.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -44.39 84.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.2 mt-10 -49.01 -50.63 35.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.95 -51.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 14.4 m-85 -57.85 -37.14 73.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.79 -25.31 63.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -65.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.4 mm? -43.9 -60.46 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -38.09 -55.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.91 -42.95 90.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 93' ' ' LEU . 7.4 mtm -73.43 160.66 31.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.452 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 1.9 p80 -161.44 150.09 15.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.628 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 97.51 -162.97 21.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -70.26 97.38 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 110.408 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.452 ' CD2' ' HE1' ' A' ' 96' ' ' MET . 0.2 OUTLIER -95.36 137.13 34.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -90.37 106.46 18.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 58.3 m-85 -93.06 119.31 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -104.61 94.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -136.77 159.93 40.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 26' ' ' VAL . 9.8 mt -108.96 130.17 23.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.82 5.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.2 123.19 20.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.403 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.2 m -108.21 148.22 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -108.5 115.42 30.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.53 142.31 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -147.92 122.44 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -97.66 112.99 24.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.4 138.35 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.19 118.54 32.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 98' ' ' GLY . 8.0 mtpm? -124.32 122.86 38.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -63.63 169.69 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -75.7 0.6 17.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -144.62 28.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.42 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -115.85 126.17 27.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 162.67 36.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.3 tp -72.38 -41.4 66.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.63 38.59 93.96 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.18 117.41 8.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.794 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -86.39 152.15 22.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 m -135.21 157.17 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -109.63 158.22 18.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.72 107.04 19.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.2 mm-40 -94.11 164.83 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.572 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.9 mmm -21.21 -57.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -155.98 25.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.6 m -132.68 153.24 51.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.3 t -103.95 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 51' ' ' ILE . 3.8 mp -101.56 150.12 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 53' ' ' SER . 13.0 mm -66.48 145.68 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 52' ' ' ILE . 5.0 p -117.44 -50.27 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 9.2 ttt180 -142.5 161.91 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 34.8 mm -125.98 117.98 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.77 145.85 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 137.41 36.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.429 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . . . 89.67 -6.16 83.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.57 141.52 26.71 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.53 -35.8 9.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . 0.462 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . . . -59.56 -53.39 58.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.15 -55.83 21.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 58' ' ' GLY . 4.2 mtpt -40.35 -64.93 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 p -61.63 -42.36 98.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.77 43.9 26.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 28.8 mt -111.04 -0.65 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 7.8 mt -129.76 123.75 31.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -134.59 155.67 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -58.0 112.85 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.59 40.31 0.94 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.81 120.18 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 23.3 tt0 -86.28 134.6 33.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.3 t -99.16 138.5 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.8 mt -121.24 -53.49 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -136.73 147.85 46.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 60.8 mt -140.91 105.69 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 69.91 9.63 7.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.63 -29.3 6.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . 0.428 HG21 ' CD2' ' A' ' 92' ' ' LEU . 3.6 mp -73.92 138.45 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -74.05 165.31 25.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.8 mm -135.25 -46.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.25 116.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.65 -40.8 2.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -48.84 149.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 8.1 t70 -79.54 158.18 27.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.469 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 20.5 m -53.84 -46.32 63.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.12 -47.96 83.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -51.53 42.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 37.4 t -58.85 -55.08 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.469 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 20.3 m-85 -53.39 -43.09 67.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.71 -30.51 70.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.428 ' CD2' HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -66.13 -68.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.472 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 1.5 mm? -45.54 -60.54 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 t -38.99 -47.94 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.74 -44.67 89.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 93' ' ' LEU . 15.4 mtm -76.26 165.2 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.11 151.34 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 99.62 -168.99 21.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.9 m -65.65 99.62 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 0.735 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.467 HD23 ' CE ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -98.37 137.39 37.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.2 m -89.16 99.59 12.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.472 ' CZ ' HD11 ' A' ' 93' ' ' LEU . 65.8 m-85 -86.69 117.59 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t -107.28 94.13 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -133.86 158.79 42.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.5 mt -107.38 132.2 21.14 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -74.97 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.08 115.44 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . 0.451 ' HA ' ' CG1' ' A' ' 105' ' ' ILE . 33.1 m -94.36 155.3 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -114.03 108.02 16.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.454 HG12 ' CG2' ' A' ' 103' ' ' VAL . 39.9 mt -81.66 127.39 39.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.1 119.85 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -93.0 113.73 26.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.626 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 36.1 mt -113.11 149.79 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -96.64 120.37 36.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -122.25 118.05 27.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.69 170.05 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -78.88 5.29 11.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -152.4 25.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.32 124.13 35.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.61 29.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.11 -54.67 36.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.43 37.69 40.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.69 122.7 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -85.8 154.43 21.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.598 HG23 ' CZ ' ' A' ' 90' ' ' PHE . 13.9 m -138.61 156.39 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 13.9 mtp-105 -104.07 173.66 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.45 98.58 7.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.8 OUTLIER -87.42 164.65 16.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.557 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.3 mmm -22.77 -58.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -153.4 23.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.2 m -132.54 153.51 50.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.4 t -105.75 107.44 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.442 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.2 mp -106.99 153.01 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.433 ' CG2' ' HA ' ' A' ' 69' ' ' GLU . 31.2 mm -65.99 141.42 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 3.2 p -112.59 -42.7 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.957 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 1.2 ttt-85 -158.66 162.85 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.459 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 44.8 mm -121.85 121.36 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 t -85.87 146.59 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -78.66 150.01 32.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' CE ' ' A' ' 63' ' ' LYS . . . 74.31 3.48 65.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.53 149.76 24.99 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.74 -26.37 61.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.7 -55.39 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 13.0 tt0 -61.02 -54.65 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' GLU . 16.2 mttt -39.77 -63.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.2 p -64.82 -31.2 72.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.89 36.56 93.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . 16.7 mt -96.23 -13.84 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.626 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.5 mm? -104.01 132.72 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -133.38 135.57 44.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.591 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 57.7 mt-10 -52.01 134.49 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.47 10.26 57.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.59 132.22 40.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.746 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 36.6 tt0 -99.41 137.66 37.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.407 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 12.5 t -103.93 142.79 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -126.19 -45.36 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -142.86 142.23 31.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.0 mt -136.74 109.0 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 70.0 18.03 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.65 -24.06 32.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 111.05 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.59 137.22 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -73.44 144.76 46.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.439 HG21 ' CG2' ' A' ' 89' ' ' VAL . 3.1 mm -117.77 -42.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.7 122.84 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.09 -43.41 1.85 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 85' ' ' ASP . 34.6 mttm -53.82 131.37 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.9 t70 -55.56 -166.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.517 ' CG2' HG21 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -85.44 -43.87 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -40.81 84.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.98 -42.72 65.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 81' ' ' ILE . 3.0 t -62.82 -46.9 95.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.598 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 13.8 m-85 -61.84 -38.1 86.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.5 -27.5 67.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -64.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 102' ' ' PHE . 1.0 OUTLIER -48.08 -59.45 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.54 -47.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.14 -43.47 82.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 93' ' ' LEU . 16.0 mtm -74.95 165.32 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.1 161.98 31.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.569 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.34 -162.03 31.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -70.55 97.52 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.72 136.83 32.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.5 m -92.22 99.69 12.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 93' ' ' LEU . 77.4 m-85 -84.82 116.72 23.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 9.4 t -106.92 100.21 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -142.46 161.96 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 3.2 mt -107.54 123.82 36.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 117.85 5.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.461 1.769 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.981 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.61 122.99 18.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.7 m -106.65 152.1 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -104.53 122.62 45.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.412 ' CG2' ' CG2' ' A' ' 101' ' ' THR . 5.3 mp -95.21 132.12 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.51 120.52 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -96.15 110.62 22.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.606 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 78.7 mt -102.36 139.63 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' HG21 ' A' ' 31' ' ' ILE . 13.9 mt-10 -92.21 103.79 16.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 98' ' ' GLY . 7.9 tttt -105.18 125.23 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . -95.88 133.75 39.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -56.72 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 35' ' ' ARG . 1.4 m-20 152.69 -23.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.64 131.08 40.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.33 12.97 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 tp -78.62 -58.58 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 73.29 31.74 60.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.28 118.48 8.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -85.34 150.15 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.453 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.481 ' CG1' HD11 ' A' ' 52' ' ' ILE . 4.1 m -143.8 138.55 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.33 146.0 29.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . 0.515 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -95.28 104.99 16.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.637 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.1 mm-40 -79.67 171.44 15.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.637 ' C ' ' O ' ' A' ' 46' ' ' GLU . 6.1 mmt -11.14 -63.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 46' ' ' GLU . 66.9 m-20 -149.69 19.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 46' ' ' GLU . 3.9 m -134.55 133.87 40.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . 0.539 HG13 ' CG2' ' A' ' 81' ' ' ILE . 1.7 p -88.78 114.92 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.8 mp -116.96 147.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.481 HD11 ' CG1' ' A' ' 43' ' ' VAL . 44.1 mm -58.26 141.78 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.91 -47.82 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -150.09 161.47 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.451 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 49.7 mm -127.18 120.78 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' GLY . 15.1 t -90.2 150.82 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . 0.401 ' N ' HG13 ' A' ' 56' ' ' VAL . 3.3 tppt? -76.28 149.23 37.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.67 -0.6 60.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -80.77 131.71 10.66 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.44 -38.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.96 -54.33 43.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' GLY . 11.1 tt0 -61.1 -58.21 9.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -41.73 -65.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -59.6 -27.41 66.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 58.05 43.11 95.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.6 mt -104.68 -15.19 15.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.606 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.2 mm? -105.73 131.96 52.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -133.49 136.35 45.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -49.19 122.03 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.17 -1.54 35.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.3 124.95 28.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 28.8 tt0 -91.05 131.26 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . 0.454 ' CG1' HG21 ' A' ' 81' ' ' ILE . 19.3 t -99.99 138.39 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 105' ' ' ILE . 9.8 mt -126.25 -43.67 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -142.58 135.95 28.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 10.4 mt -122.5 102.11 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 1.6 t-20 86.23 -37.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.91 -26.09 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.79 144.63 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 155.86 22.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.546 HD11 ' CG2' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -134.73 -56.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -42.73 121.53 2.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.2 -30.66 9.93 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 81' ' ' ILE . 9.8 mttp -64.21 159.19 21.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . 0.413 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 20.5 t0 -85.63 158.82 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.583 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 10.4 m -53.4 -47.06 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.54 -45.65 88.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.64 -53.3 57.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.546 ' CG2' HD11 ' A' ' 81' ' ' ILE . 39.2 t -54.09 -37.12 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 15.6 m-85 -74.85 -67.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.07 -29.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -57.38 -66.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 96' ' ' MET . 83.6 mt -49.33 -46.0 46.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.72 -56.32 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -40.22 95.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 93' ' ' LEU . 20.0 mtm -77.67 176.32 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 35' ' ' ARG . 1.1 p80 -177.96 177.23 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.611 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 75.52 -165.82 54.51 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.8 m -65.67 97.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.18 134.01 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.412 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 43.9 m -89.35 112.68 23.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.438 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -95.22 121.46 36.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.99 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -136.73 157.77 46.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . 0.425 ' CD1' HD13 ' A' ' 74' ' ' LEU . 3.1 mt -102.86 128.65 27.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.67 5.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.93 121.18 20.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.8 m -103.0 140.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -105.98 111.43 24.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ILE . . . . . 0.446 HG22 ' CG2' ' A' ' 101' ' ' THR . 4.3 mp -83.78 140.54 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.7 117.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -82.8 101.68 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.2 mt -99.19 134.37 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.71 111.57 23.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLY . 0.7 OUTLIER -116.97 144.8 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . 0.409 ' CB ' HG13 ' A' ' 37' ' ' ILE . . . -91.74 171.58 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -85.25 25.76 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -172.76 34.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ILE . . . . . 0.409 HG13 ' CB ' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -114.78 130.5 24.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.85 25.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 93' ' ' LEU . 6.5 tp -57.34 -56.0 27.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' GLY . . . . . 0.41 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 65.56 42.09 95.79 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.16 . . . . 0.0 111.034 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.09 121.13 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.2 m -89.86 146.85 24.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.495 HG23 ' CZ ' ' A' ' 90' ' ' PHE . 3.8 m -139.91 152.47 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' CG ' ' CB ' ' A' ' 53' ' ' SER . 33.5 mtp180 -101.84 172.3 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.94 98.27 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . 0.559 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.0 OUTLIER -81.49 164.6 21.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' MET . . . . . 0.559 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.6 mmt -22.76 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -151.19 22.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.4 m -132.34 153.89 50.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.1 t -106.08 100.3 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 51' ' ' ILE . 2.7 mp -99.38 151.8 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 53' ' ' SER . 13.8 mm -67.66 145.82 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' SER . . . . . 0.452 ' N ' HG22 ' A' ' 52' ' ' ILE . 1.2 p -115.4 -45.8 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -157.24 160.96 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 45.8 mm -121.88 121.92 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 13.0 t -82.36 136.74 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.33 112.69 19.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.74 -31.38 3.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.83 -178.92 10.27 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 64' ' ' SER . . . -73.27 -46.73 48.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.11 -49.52 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -47.14 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -39.42 -66.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' SER . . . . . 0.562 ' CB ' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -44.62 -46.2 9.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.25 12.98 26.53 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' LEU . . . . . 0.562 HD22 ' CB ' ' A' ' 64' ' ' SER . 2.1 mm? -75.72 -22.19 56.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD2' HD21 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -103.53 132.99 49.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -134.63 142.75 46.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.653 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -49.65 120.65 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.79 -2.66 25.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.69 135.59 34.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 35.4 tt0 -101.04 133.34 45.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.84 136.12 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.2 mt -122.37 -47.75 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -149.08 144.07 26.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ILE . . . . . 0.537 HD11 ' CD2' ' A' ' 102' ' ' PHE . 33.8 mt -135.44 104.89 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.51 4.45 4.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.76 -24.59 8.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.25 139.21 20.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.84 148.05 40.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . 0.414 ' CG2' HG21 ' A' ' 89' ' ' VAL . 2.7 mm -124.24 -44.81 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 106.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.59 -26.44 9.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.57 1.169 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -64.11 -172.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -120.65 161.8 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.372 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' VAL . . . . . 0.521 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 35.5 m -54.23 -50.16 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -47.64 79.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -51.91 67.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.414 HG21 ' CG2' ' A' ' 81' ' ' ILE . 38.8 t -56.08 -43.74 76.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' PHE . . . . . 0.521 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 21.2 m-85 -66.17 -60.75 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.9 -33.03 22.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -71.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' LEU . . . . . 0.496 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 52.4 mt -48.52 -52.08 24.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.23 -50.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.54 -42.42 91.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 93' ' ' LEU . 20.4 mtm -76.34 167.31 22.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -165.93 166.64 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 85.27 -166.85 40.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.9 m -65.67 97.53 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 149.96 20.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' THR . . . . . 0.446 ' CG2' HG22 ' A' ' 28' ' ' ILE . 53.4 m -104.6 100.36 10.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' PHE . . . . . 0.537 ' CD2' HD11 ' A' ' 76' ' ' ILE . 51.2 m-85 -87.42 121.67 30.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.1 t -107.3 94.82 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.22 164.18 28.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.0 mt -112.02 130.33 23.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 118.84 5.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.23 117.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.1 160.41 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.035 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.65 -120.13 4.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -147.4 -55.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m 60.4 116.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.05 -152.74 19.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.81 1.61 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 mt -87.7 136.43 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p 45.19 -167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.82 92.76 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 3.6 pt-20 -79.41 62.64 3.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.443 ' C ' ' CG2' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -154.33 70.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.321 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG2' ' C ' ' A' ' 13' ' ' ARG . 2.6 t -151.82 21.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -94.7 51.73 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 71.1 141.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -53.38 136.89 36.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.405 ' O ' ' CD1' ' A' ' 21' ' ' TYR . 5.0 mp -101.29 146.14 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.494 ' O ' ' CG2' ' A' ' 26' ' ' VAL . . . -61.05 -53.07 48.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -65.63 100.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.638 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.405 ' CD1' ' O ' ' A' ' 18' ' ' ILE . 1.4 m-85 -102.59 116.0 31.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 37.82 -113.93 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.56 48.33 0.95 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.35 -167.59 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.14 123.07 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.494 ' CG2' ' O ' ' A' ' 19' ' ' GLY . 2.8 m -107.73 149.24 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -106.61 124.62 49.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.466 ' CG2' HG21 ' A' ' 101' ' ' THR . 5.1 mp -98.37 133.49 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -141.72 118.08 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -89.97 113.5 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.455 ' CD1' HD12 ' A' ' 67' ' ' LEU . 25.9 mt -109.65 135.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -94.19 118.9 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 98' ' ' GLY . 8.5 mtpm? -123.31 118.96 28.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.447 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -60.05 170.03 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -74.26 -0.71 17.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -147.49 33.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.447 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mm -117.8 126.47 27.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.34 37.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 35.1 tp -71.85 -51.15 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.79 37.01 61.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.453 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -144.52 120.76 10.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.769 . . . . 0.0 109.239 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.0 m -86.09 150.62 24.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.414 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 3.2 m -142.17 143.83 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.83 165.89 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.22 99.63 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.586 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.4 OUTLIER -80.9 164.71 22.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.586 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.3 mmt -19.26 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -153.58 23.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.2 m -132.99 153.52 51.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 63.1 t -101.37 97.08 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.422 HD13 ' N ' ' A' ' 51' ' ' ILE . 1.9 mp -99.79 157.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.434 HG22 ' N ' ' A' ' 53' ' ' SER . 13.2 mm -70.31 145.65 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.434 ' N ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -113.99 -45.92 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.954 -179.963 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.467 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.5 OUTLIER -155.08 161.5 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.467 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 36.9 mm -121.28 124.89 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -89.33 146.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -77.79 150.62 34.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.86 5.76 62.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.74 152.4 24.92 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.37 65.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.453 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -66.54 -57.64 6.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.62 -54.66 42.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -40.18 -67.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.6 p -58.24 -36.36 73.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.84 44.88 88.03 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 7.9 mt -115.47 1.17 13.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.455 HD12 ' CD1' ' A' ' 31' ' ' ILE . 8.1 mt -127.24 127.97 45.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -133.65 156.05 48.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.93 124.35 20.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.85 -11.69 22.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -71.3 136.42 47.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.287 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 21.8 tt0 -104.31 124.17 48.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 18.6 t -86.81 134.05 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -122.03 -56.15 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -137.62 142.35 41.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.451 HD13 ' CD2' ' A' ' 102' ' ' PHE . 19.3 mt -133.93 103.12 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 0.9 OUTLIER 77.05 1.23 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 121.49 -25.67 6.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.3 mp -72.12 138.17 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.81 152.93 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.0 mm -126.55 -44.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 114.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.78 -31.52 8.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -56.97 178.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -112.42 154.9 25.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.519 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 27.0 m -49.9 -49.37 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -57.28 -47.65 80.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -56.68 -51.74 67.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 23.6 t -57.05 -45.6 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.519 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 20.1 m-85 -64.67 -46.63 81.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -26.79 68.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -69.66 -69.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.455 ' O ' ' N ' ' A' ' 96' ' ' MET . 62.9 mt -48.47 -56.93 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.9 t -41.75 -40.78 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.95 -41.92 63.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.47 ' CE ' HD23 ' A' ' 100' ' ' LEU . 20.8 mtm -77.81 162.42 26.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.18 148.36 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 103.32 -170.09 19.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -67.17 102.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.47 HD23 ' CE ' ' A' ' 96' ' ' MET . 0.5 OUTLIER -100.39 136.82 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.466 HG21 ' CG2' ' A' ' 28' ' ' ILE . 54.9 m -88.08 99.93 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.455 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.463 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 60.0 m-85 -87.11 116.92 25.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.51 94.8 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.488 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -134.03 161.91 33.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.8 mt -105.19 128.84 25.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.96 5.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t -75.6 74.23 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -78.22 54.5 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.09 119.54 18.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.42 105.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.89 131.18 41.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.85 172.29 9.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.972 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.6 -63.74 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.57 -147.94 19.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.96 175.84 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -150.27 171.09 17.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.81 77.79 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -167.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -73.41 130.85 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.1 t -122.08 169.91 10.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.361 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -134.32 33.73 3.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -92.25 49.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.581 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -158.25 77.19 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 t -142.69 20.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.581 ' CE1' ' HA ' ' A' ' 13' ' ' ARG . 2.0 p90 -114.74 153.13 30.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -91.92 -0.77 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -112.17 94.9 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.567 ' N ' ' CD1' ' A' ' 18' ' ' ILE . 1.7 mp -102.75 146.09 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' N ' HG21 ' A' ' 18' ' ' ILE . . . -40.96 -49.76 4.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -125.34 84.45 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.562 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.572 ' CD1' HG21 ' A' ' 26' ' ' VAL . 11.4 m-30 -38.85 144.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.49 130.25 29.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.72 -85.76 0.93 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.12 -163.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.49 127.64 26.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.572 HG21 ' CD1' ' A' ' 21' ' ' TYR . 34.0 m -112.91 149.6 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -113.54 110.68 20.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.409 HG12 ' CG2' ' A' ' 103' ' ' VAL . 65.3 mt -83.17 132.06 32.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.02 118.63 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.964 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -88.38 108.83 19.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.472 ' CD1' ' HB2' ' A' ' 66' ' ' LEU . 69.2 mt -105.17 137.52 34.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -87.88 129.38 35.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.493 ' CE ' ' HA ' ' A' ' 39' ' ' LEU . 0.7 OUTLIER -131.27 135.5 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -80.87 170.11 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 6.8 ttt180 -79.88 5.63 13.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -154.68 35.13 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -117.43 125.43 28.14 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.89 14.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.493 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 1.1 tp -41.3 -58.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.75 36.13 33.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.31 121.45 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -87.55 156.34 19.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.0 m -139.59 154.76 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.88 166.07 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.9 98.03 8.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.3 mm-40 -82.32 164.84 20.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.565 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.2 mmt -22.31 -58.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -152.31 23.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.5 m -132.42 153.3 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 61.3 t -102.27 92.79 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.469 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.6 mp -97.45 154.11 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mm -63.62 150.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.6 p -121.19 -44.05 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 15.9 ttt180 -153.4 160.96 42.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.448 ' CG2' ' HB2' ' A' ' 62' ' ' GLU . 28.0 mm -123.84 118.0 52.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.4 t -81.68 148.18 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.147 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -75.16 152.92 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.04 9.82 43.17 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.03 131.58 10.49 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.76 -35.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.283 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . . . -68.06 -57.2 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.448 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 4.7 tt0 -53.47 -57.27 11.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -39.61 -66.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.419 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 9.8 p -59.64 -28.3 67.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 59.84 19.02 48.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.472 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . 33.2 mt -79.74 -9.54 59.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.473 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 4.5 mt -122.63 128.82 51.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -133.39 149.93 51.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -52.61 130.41 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.82 -15.62 31.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -66.05 143.27 57.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.459 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 23.6 tt0 -110.05 117.77 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 11.6 t -83.22 132.5 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 109.304 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.459 ' CD2' ' HG2' ' A' ' 72' ' ' GLU . 23.9 mt -124.57 -52.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -136.0 144.31 45.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 51.6 mt -140.37 102.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.52 21.82 5.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.83 -29.38 12.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.447 HG23 ' CD2' ' A' ' 92' ' ' LEU . 4.4 mp -71.04 132.77 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.73 158.6 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.437 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.0 mm -130.02 -47.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.428 ' NH1' HD22 ' A' ' 74' ' ' LEU . 2.5 ttt85 -38.15 122.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.75 -41.46 2.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -46.58 165.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -97.78 159.4 14.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 26.8 m -56.19 -51.95 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -56.6 -47.15 80.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -53.7 -50.51 65.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.358 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.5 t -59.0 -53.65 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -53.7 -40.12 65.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -67.45 -30.76 70.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.447 ' CD2' HG23 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -68.84 -67.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.8 mm? -42.86 -61.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.19 -56.69 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.28 -40.62 74.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.7 mtm -79.32 162.59 25.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.69 160.05 25.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.597 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 92.65 -162.08 26.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 m -69.79 97.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.422 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -91.26 137.85 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.5 m -93.49 99.39 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.422 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 73.6 m-85 -87.23 116.57 25.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.409 ' CG2' HG12 ' A' ' 28' ' ' ILE . 5.1 t -108.04 94.39 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.459 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -137.07 165.5 25.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.406 ' CD1' HD11 ' A' ' 74' ' ' LEU . 3.8 mt -107.17 127.1 28.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 t -71.47 80.15 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.27 54.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -124.42 75.49 0.39 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.43 6.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.39 102.47 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.1 t -54.44 103.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -151.37 150.75 30.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.57 85.92 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.3 -60.43 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.161 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.19 109.94 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -127.56 -66.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.17 156.58 10.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.143 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.83 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.543 1.812 . . . . 0.0 110.976 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 mt -63.0 156.77 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.1 m -150.04 161.95 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -85.68 97.82 10.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.43 56.9 2.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.89 22.49 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.8 t -96.73 20.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -87.64 -164.93 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.9 -157.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 p -53.05 112.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.977 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 25.5 mm -79.78 166.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.76 -65.31 1.92 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.445 ' CD2' ' H ' ' A' ' 20' ' ' HIS . 0.3 OUTLIER -88.53 98.7 11.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.584 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.57 ' CE1' HG21 ' A' ' 26' ' ' VAL . 3.3 m-30 -68.66 60.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . 47.98 95.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.29 -76.51 0.58 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -172.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.85 124.75 16.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.57 HG21 ' CE1' ' A' ' 21' ' ' TYR . 3.0 m -110.12 142.53 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -98.42 119.58 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.7 mp -91.89 117.5 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.441 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -121.24 117.72 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 16.8 mtt180 -93.7 111.06 22.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.604 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 91.9 mt -107.34 140.99 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -96.45 118.72 33.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.438 ' O ' ' N ' ' A' ' 98' ' ' GLY . 24.6 mtpt -124.5 133.78 53.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.69 172.29 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -82.05 19.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -166.71 31.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -116.34 127.48 26.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.52 38.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.31 -56.84 11.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.428 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 75.5 37.4 41.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.71 117.89 9.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -85.85 151.52 23.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.408 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 2.5 m -135.62 151.91 30.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -108.3 162.47 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -96.58 122.92 40.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.594 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.9 mm-40 -110.31 164.84 12.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.594 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.8 mmt -18.76 -58.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' GLU . 24.6 m-20 -155.54 24.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.4 m -133.38 153.62 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -104.22 97.12 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.414 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.7 mp -96.94 158.29 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.449 HG22 ' N ' ' A' ' 53' ' ' SER . 15.4 mm -69.88 146.13 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.449 ' N ' HG22 ' A' ' 52' ' ' ILE . 9.7 p -117.35 -43.76 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 9.8 ttt180 -154.71 161.7 41.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.417 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 45.2 mm -123.14 119.88 58.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.428 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 5.5 t -83.63 145.65 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 146.91 33.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.45 -4.17 69.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.69 152.37 44.29 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.63 -25.14 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.33 -53.14 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' LYS . 11.0 tt0 -57.55 -58.87 6.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 10.0 mttm -39.85 -66.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -57.54 -32.98 67.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.32 44.13 97.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.441 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 32.1 mt -104.77 -11.3 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.604 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.3 mm? -109.75 128.14 55.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -133.52 132.33 40.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -43.95 121.93 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.244 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.05 -9.36 25.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -73.47 135.41 44.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 0.737 . . . . 0.0 109.287 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.6 tt0 -104.5 128.38 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.435 HG12 ' CB ' ' A' ' 81' ' ' ILE . 19.0 t -90.09 138.85 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.415 ' CD1' HG13 ' A' ' 26' ' ' VAL . 32.5 mt -125.71 -53.38 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -139.86 146.29 39.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 55.8 mt -138.89 114.4 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 7.5 m-20 60.78 21.34 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.87 -27.05 22.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.422 HG23 ' CD2' ' A' ' 92' ' ' LEU . 4.8 mp -70.98 136.33 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.31 153.88 40.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.435 ' CB ' HG12 ' A' ' 73' ' ' VAL . 2.0 mm -128.84 -45.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -42.21 116.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.16 -36.47 4.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' ILE . 44.8 mttm -51.19 167.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.34 160.39 14.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.545 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 21.7 m -55.04 -51.07 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.418 ' N ' HG22 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -57.39 -46.89 82.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.04 -49.92 70.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.242 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 3.9 t -60.54 -55.53 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.545 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 22.6 m-85 -52.02 -46.37 64.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -33.24 75.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.422 ' CD2' HG23 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -64.79 -67.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.531 HD11 ' CE2' ' A' ' 102' ' ' PHE . 1.5 mm? -44.25 -60.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -38.13 -54.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.21 -44.44 88.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.463 ' N ' ' O ' ' A' ' 93' ' ' LEU . 10.7 mtm -75.78 161.98 28.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.44 155.83 22.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.596 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 97.4 -163.47 21.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.0 m -69.96 97.63 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.394 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.476 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -94.69 135.85 35.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 1.2 m -91.27 105.08 17.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.406 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.531 ' CE2' HD11 ' A' ' 93' ' ' LEU . 70.8 m-85 -93.02 118.84 31.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.411 ' CG1' ' HB ' ' A' ' 26' ' ' VAL . 3.0 t -107.09 94.57 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.498 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.39 157.42 46.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.0 mt -102.16 129.07 27.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 118.14 5.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t -81.27 81.51 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 48.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.16 78.2 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 117.53 4.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.91 -53.33 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.048 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.2 m -69.45 131.87 45.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.943 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 p -92.35 158.56 16.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.9 p -166.45 143.06 4.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.63 150.98 11.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -113.71 112.41 23.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 109.977 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m 62.91 -88.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.5 161.8 10.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 mt -102.73 145.81 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.6 p -55.33 165.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -151.95 122.03 7.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.4 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -111.33 59.75 0.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.538 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -151.82 24.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -91.33 19.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.602 ' CD1' HD12 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -106.41 170.23 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -115.47 -147.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 p -52.8 112.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.602 HD12 ' CD1' ' A' ' 15' ' ' TYR . 3.1 mt -107.89 142.13 21.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.65 71.02 0.17 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER 170.74 61.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 109.6 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.557 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.4 m-30 -75.2 56.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.28 53.25 1.75 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.09 -47.85 3.93 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.76 -167.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.39 125.23 15.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.557 HG22 ' CD1' ' A' ' 21' ' ' TYR . 6.7 m -112.3 137.84 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -103.19 111.85 24.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.1 mp -82.03 130.9 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.79 121.68 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -98.1 123.91 42.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.507 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 2.7 mt -114.53 132.77 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -88.17 110.12 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.422 ' O ' ' N ' ' A' ' 98' ' ' GLY . 16.8 mtpt -115.02 154.2 29.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -102.08 172.07 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.545 ' HA ' ' CG ' ' A' ' 97' ' ' HIS . 26.7 mtm180 -84.75 29.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.13 33.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.67 126.92 25.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 145.43 31.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.8 tp -61.56 -56.27 21.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.463 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 72.43 38.39 58.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.28 117.21 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.334 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -86.94 153.81 21.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.44 146.2 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.18 164.86 11.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -97.28 122.86 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.598 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.4 mm-40 -107.46 165.35 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -18.37 -58.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.4 m-20 -156.81 24.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.8 m -134.12 153.44 51.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.956 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 98.2 t -103.42 103.3 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.554 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.4 mp -105.58 156.61 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.427 ' N ' HG21 ' A' ' 51' ' ' ILE . 29.9 mm -69.56 145.51 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.15 -46.63 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 6.0 ttt180 -148.2 163.16 37.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.451 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 44.4 mm -126.68 119.31 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.463 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 9.6 t -84.06 148.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -79.64 149.07 31.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.86 -5.47 61.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.54 150.32 39.84 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.74 -22.52 64.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 0.782 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.97 -60.63 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 9.3 tt0 -48.71 -61.29 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -39.16 -69.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.02 -49.23 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.96 14.44 67.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 8.0 mt -80.37 -22.93 40.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.27 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.507 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 2.6 mm? -103.27 121.48 42.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -133.66 153.67 51.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.581 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.84 115.72 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 119.78 -6.65 12.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.25 135.04 36.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 31.6 tt0 -101.53 128.46 47.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 12.2 t -94.87 140.01 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ILE . 6.9 mt -129.42 -54.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -135.83 143.26 45.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.335 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.1 mt -136.05 106.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.75 14.57 9.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.44 -27.91 10.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.425 ' CG2' HD21 ' A' ' 92' ' ' LEU . 3.3 mp -71.58 130.93 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.451 ' O ' ' CE ' ' A' ' 84' ' ' LYS . 1.3 mt-10 -69.15 155.71 39.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.448 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.4 mm -128.39 -49.31 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -39.7 126.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.54 -48.83 2.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.451 ' CE ' ' O ' ' A' ' 80' ' ' GLU . 40.6 mttm -40.99 160.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 17.1 t0 -90.74 159.48 16.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.4 ' N ' ' OD1' ' A' ' 85' ' ' ASP . 31.2 m -55.74 -49.07 76.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -59.43 -46.44 88.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -52.55 -50.82 62.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.965 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 9.1 t -59.45 -56.75 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -50.47 -40.38 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -33.62 75.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.425 HD21 ' CG2' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -66.34 -66.79 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.58 HD11 ' CE2' ' A' ' 102' ' ' PHE . 2.5 mm? -43.14 -60.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.615 ' O ' ' CE1' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -43.28 -52.32 5.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 110.0 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -59.07 -32.82 70.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.552 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 12.2 mtm -89.49 162.4 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.615 ' CE1' ' O ' ' A' ' 94' ' ' SER . 90.4 m-70 -159.89 164.13 33.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 87.69 -163.31 33.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 35.4 m -71.81 98.93 2.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.404 ' CD2' ' HB3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -98.39 137.94 36.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 5.4 m -90.34 107.87 19.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CE2' HD11 ' A' ' 93' ' ' LEU . 41.7 m-85 -93.57 116.57 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.1 94.32 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.94 161.73 35.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.4 mt -107.6 122.57 40.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 115.74 4.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 109' ' ' GLY . 3.4 t -73.32 59.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.1 m 40.85 30.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.962 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 107' ' ' SER . . . 70.53 158.52 2.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.128 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 83.33 1.83 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.801 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.6 m -92.79 150.4 20.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.2 113.44 26.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.41 168.8 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 0.785 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -120.2 131.66 55.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.62 167.56 19.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.88 93.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.02 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -63.52 147.58 50.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.6 -124.3 0.72 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 82.44 2.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 10' ' ' THR . 66.1 mt -96.55 139.07 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' ILE . 44.1 p 40.67 -162.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.63 111.11 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -116.84 -138.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 32.45 54.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.534 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 54.6 t -137.88 21.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 15' ' ' TYR . 3.0 m-85 -108.63 168.4 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.24 -146.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.2 p -53.36 126.44 21.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.403 HG22 ' N ' ' A' ' 19' ' ' GLY . 50.0 mm -80.55 -100.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.403 ' N ' HG22 ' A' ' 18' ' ' ILE . . . 168.83 -53.94 0.21 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' TYR . 8.2 p80 -78.74 -30.3 45.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 109.61 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' HIS . 22.6 m-85 36.68 85.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.8 -153.46 6.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.81 44.03 3.31 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.21 177.01 7.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.88 124.67 28.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 4.1 m -117.87 144.71 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -104.82 116.94 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.3 mp -87.27 132.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.75 118.5 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 12.1 mtt180 -97.63 125.98 42.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.489 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 95.1 mt -120.87 142.36 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -91.83 109.43 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.76 129.27 55.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.426 ' CB ' HG13 ' A' ' 37' ' ' ILE . . . -75.12 169.77 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -77.8 1.44 20.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.342 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.99 37.04 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.426 HG13 ' CB ' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -119.2 127.46 26.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 153.11 41.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 tp -67.81 -57.78 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.5 38.06 45.28 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.43 ' HB1' ' CB ' ' A' ' 61' ' ' ALA . . . -144.37 120.25 10.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -86.81 153.87 21.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.3 m -144.8 143.82 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.7 162.62 12.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.37 99.16 10.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.8 mm-40 -80.9 165.05 22.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.581 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.9 mmm -19.79 -59.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -155.23 24.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 19.1 m -133.13 153.37 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.4 t -101.49 102.62 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.544 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.4 mp -107.5 153.78 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 27.3 mm -68.12 144.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -44.78 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 1.0 OUTLIER -154.37 159.16 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.452 ' CG2' ' HB2' ' A' ' 62' ' ' GLU . 32.2 mm -120.65 121.6 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -86.56 146.07 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -76.84 147.89 36.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.38 -2.87 64.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.155 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.21 148.47 31.31 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -29.37 59.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.43 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . . . -69.11 -56.02 8.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 13.7 tt0 -61.67 -51.39 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -40.1 -67.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.5 p -64.98 -36.34 84.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 72.38 40.21 55.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.573 1.171 . . . . 0.0 111.009 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.485 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . 7.0 mt -97.7 -16.8 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.489 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.3 mm? -103.89 131.66 50.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -133.69 137.56 45.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.46 114.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.02 -3.15 16.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -80.89 130.76 35.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 24.7 tt0 -96.3 131.8 42.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 4.6 t -99.6 133.72 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.371 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.444 ' O ' ' N ' ' A' ' 81' ' ' ILE . 23.1 mt -119.98 -52.15 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.37 151.45 49.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 46.9 mt -139.74 103.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.01 13.73 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.85 -27.45 9.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.442 ' CG2' HD23 ' A' ' 92' ' ' LEU . 2.7 mp -70.74 133.62 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.57 157.62 36.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.444 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.5 mm -134.15 -46.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.413 ' NH1' HD22 ' A' ' 74' ' ' LEU . 2.3 ttt85 -39.87 120.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.31 -41.22 2.61 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' ILE . 24.8 mttm -45.46 154.48 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -88.69 160.06 17.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.524 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 29.7 m -53.03 -50.58 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -56.12 -47.72 77.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.333 -179.991 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -54.28 -50.42 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 5.1 t -59.64 -55.89 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.524 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 19.8 m-85 -51.38 -54.01 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.68 -47.74 76.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.442 HD23 ' CG2' ' A' ' 79' ' ' ILE . 0.3 OUTLIER -45.58 -71.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.447 ' O ' ' N ' ' A' ' 96' ' ' MET . 92.3 mt -47.66 -51.52 21.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.95 -58.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.52 -39.5 84.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.3 mtm -75.46 161.33 29.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.8 151.33 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.606 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.73 -168.86 20.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.7 m -65.71 97.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -95.48 138.73 32.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 23.2 m -93.82 106.76 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -92.6 117.13 29.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 t -102.31 94.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -134.49 161.07 36.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.8 mt -106.87 122.95 40.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.65 4.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 108' ' ' SER . 3.9 t -74.93 60.67 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 107' ' ' SER . 45.0 m 39.29 32.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 107' ' ' SER . . . 42.93 -119.7 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 85.59 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 82.9 p -41.54 -45.4 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.028 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.56 122.61 45.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -130.56 126.87 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.61 113.39 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.49 -179.79 22.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 m -94.43 -62.05 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.959 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t 55.6 102.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.15 155.37 10.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 74.9 3.87 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.0 mt -109.86 144.6 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 p -55.4 121.38 8.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.429 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.24 104.29 14.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -105.27 67.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.39 16.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.9 t -96.42 17.43 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.5 m-85 -41.53 140.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -79.29 -145.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 1.3 p -54.27 107.46 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.0 mt -92.19 154.2 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -59.08 3.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.539 1.149 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -100.31 77.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 0.782 . . . . 0.0 109.615 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.45 ' CD1' HG23 ' A' ' 26' ' ' VAL . 2.4 m-85 -49.86 179.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.72 94.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . 39.15 69.34 0.41 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -175.12 -172.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.82 122.89 23.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.45 HG23 ' CD1' ' A' ' 21' ' ' TYR . 2.4 m -110.24 133.38 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -97.12 117.7 31.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.471 ' CG2' HG23 ' A' ' 101' ' ' THR . 5.1 mp -91.84 147.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -152.16 118.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -88.9 113.55 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.597 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 67.6 mt -104.79 138.02 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.405 ' N ' HG21 ' A' ' 31' ' ' ILE . 6.8 mt-10 -97.36 119.98 36.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' CG ' ' CB ' ' A' ' 60' ' ' ALA . 7.6 mtpm? -127.33 136.61 52.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.93 171.92 13.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 1.0 OUTLIER -80.49 38.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER 170.73 40.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -121.88 126.56 26.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.03 34.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.497 ' CD1' ' CB ' ' A' ' 61' ' ' ALA . 0.2 OUTLIER -60.74 -52.08 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.1 35.98 57.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.19 118.12 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -86.21 152.16 23.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.56 HG23 ' CE1' ' A' ' 90' ' ' PHE . 1.7 m -141.13 156.4 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 55.0 mtp180 -100.89 156.27 17.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.349 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.93 97.76 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -82.79 164.71 20.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.543 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 mmt -24.18 -58.76 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -151.18 23.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.3 m -132.68 153.59 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.471 ' CG1' HG22 ' A' ' 43' ' ' VAL . 55.5 t -108.25 100.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.425 HD11 ' N ' ' A' ' 51' ' ' ILE . 3.2 mp -104.01 145.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 5.3 mm -64.46 162.24 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.468 ' HB2' ' CG ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -140.31 -54.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -131.8 146.7 52.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . . . . . . . . . 29.9 mm -116.49 106.02 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.4 146.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -82.15 156.51 24.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.404 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . 77.82 -2.4 64.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.66 156.05 34.42 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.484 ' CB ' ' CG ' ' A' ' 33' ' ' LYS . . . -66.07 -22.34 66.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.497 ' CB ' ' CD1' ' A' ' 39' ' ' LEU . . . -74.92 -53.18 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 3.9 tt0 -55.85 -66.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLU . 5.1 mttp -39.97 -60.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.6 p -55.16 -37.06 66.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 62.53 44.21 97.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 19.6 mt -110.34 -12.02 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.597 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 2.6 mm? -106.69 131.02 54.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -133.47 132.72 41.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.565 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -47.48 114.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.65 5.04 18.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -88.65 124.71 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.444 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 25.3 tt0 -89.59 129.15 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.428 ' CG1' HG13 ' A' ' 81' ' ' ILE . 18.3 t -87.28 134.59 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.451 ' O ' ' N ' ' A' ' 81' ' ' ILE . 0.4 OUTLIER -126.67 -54.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -133.0 142.44 48.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.409 HG21 ' CE ' ' A' ' 96' ' ' MET . 25.6 mt -135.92 102.84 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.408 ' ND2' ' HA ' ' A' ' 100' ' ' LEU . 1.3 t-20 69.95 19.08 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.22 -23.67 28.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 mp -79.53 130.27 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 2.4 tt0 -71.39 161.4 31.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.451 ' N ' ' O ' ' A' ' 74' ' ' LEU . 2.5 mm -126.59 -43.67 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.438 ' CD ' HD21 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -40.7 118.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.33 -17.47 51.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 80' ' ' GLU . 21.3 mttp -74.61 165.39 25.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -97.77 138.26 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.506 HG23 ' CG2' ' A' ' 43' ' ' VAL . 1.5 p -40.31 -49.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.48 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -60.07 -45.94 91.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.8 OUTLIER -52.45 -49.34 64.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 37.0 t -56.76 -48.34 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.56 ' CE1' HG23 ' A' ' 43' ' ' VAL . 23.3 m-30 -57.25 -32.3 66.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.06 -37.35 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 95' ' ' ASP . 0.2 OUTLIER -54.81 -64.28 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 87.2 mt -49.77 -46.54 50.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -17.97 9.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.8 m-20 -105.8 13.66 29.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . 24.2 mtm -135.1 148.44 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.532 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 2.0 m-70 -150.31 155.1 39.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.24 -170.12 23.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 m -68.07 102.4 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 110.441 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 96' ' ' MET . 0.3 OUTLIER -100.69 141.34 33.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.471 HG23 ' CG2' ' A' ' 28' ' ' ILE . 40.1 m -93.1 101.09 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -85.0 116.85 23.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.54 94.92 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.444 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -136.74 156.54 48.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.7 mt -104.37 127.44 29.08 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.99 5.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.0 t -77.07 57.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.933 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.4 m 41.5 33.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.02 -85.65 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.1 p -132.28 131.91 42.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.949 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.8 m -86.93 124.14 32.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -87.55 98.37 11.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -170.25 101.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.73 -154.12 9.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -75.02 167.54 21.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.954 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -74.81 129.79 38.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.26 157.35 28.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -168.63 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.0 mm -102.54 156.05 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.1 m -76.59 159.0 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 97.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.95 10.34 14.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' C ' ' CG2' ' A' ' 14' ' ' VAL . 17.1 mtt180 -104.04 74.64 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.414 ' CG2' ' C ' ' A' ' 13' ' ' ARG . 2.7 t -150.45 20.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.604 ' CD1' ' CD1' ' A' ' 18' ' ' ILE . 24.1 p90 -91.07 156.47 17.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -93.81 -147.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.41 97.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.604 ' CD1' ' CD1' ' A' ' 15' ' ' TYR . 39.4 mm -65.4 -28.9 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.81 -69.07 0.72 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -55.05 -30.33 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.558 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 44.81 -170.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . -58.27 -162.49 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.35 64.2 0.25 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -160.58 173.62 15.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.325 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.78 122.49 36.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.0 m -116.87 154.17 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -112.14 113.4 25.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.9 mp -80.11 129.44 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.253 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -132.41 117.86 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -92.98 111.52 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 75.6 mt -104.77 136.93 36.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.405 ' N ' HG21 ' A' ' 31' ' ' ILE . 16.9 mt-10 -88.79 119.71 29.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.426 ' O ' ' N ' ' A' ' 98' ' ' GLY . 2.5 tttt -125.51 146.02 49.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.407 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . . . -93.64 169.66 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtm105 -80.67 5.02 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.03 19.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.407 ' HB ' ' CB ' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -112.03 125.12 30.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 149.03 35.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.771 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.56 -58.42 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.57 38.49 24.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.467 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . . . -145.19 119.29 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -88.81 153.16 21.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.347 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.403 HG22 ' CG1' ' A' ' 50' ' ' VAL . 3.0 m -138.93 156.22 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -109.2 161.99 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.7 101.35 12.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.584 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -87.85 164.71 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.584 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -20.22 -58.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -154.35 23.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.409 ' CB ' ' OE1' ' A' ' 72' ' ' GLU . 74.7 m -132.97 153.66 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.403 ' CG1' HG22 ' A' ' 43' ' ' VAL . 39.5 t -102.86 92.14 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.8 mp -94.77 145.48 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.455 ' CG2' ' HA ' ' A' ' 69' ' ' GLU . 17.4 mm -59.9 146.5 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 p -119.15 -44.26 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 10.1 ttt-85 -151.57 159.31 44.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.42 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 43.9 mm -124.32 121.7 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 t -81.87 143.28 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -78.83 138.37 38.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' LYS . . . 84.86 1.69 88.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.61 144.84 23.44 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.64 -30.54 5.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.467 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . . . -66.74 -55.06 16.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.21 -47.87 80.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -45.05 -67.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.5 p -57.72 -48.34 79.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.6 44.34 7.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.462 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 17.8 mt -113.69 -6.62 13.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 0.753 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 31' ' ' ILE . 4.4 mt -120.54 126.14 49.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -133.9 156.07 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.629 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.455 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 64.0 mt-10 -62.07 124.81 21.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.37 -5.4 28.31 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 14.1 m-20 -80.91 134.24 35.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 109.246 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 28.7 tt0 -100.52 132.19 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.415 ' CG1' HG13 ' A' ' 81' ' ' ILE . 10.2 t -99.6 141.34 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -127.52 -47.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -142.72 150.04 39.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.46 HD13 ' CD1' ' A' ' 81' ' ' ILE . 73.4 mt -143.41 109.93 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.66 11.64 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.75 -27.17 9.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.0 mp -70.96 135.0 28.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 -179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.21 142.37 43.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.46 ' CD1' HD13 ' A' ' 76' ' ' ILE . 5.6 mm -113.03 -23.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -53.36 119.91 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . 87.05 -42.81 3.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' GLY . 29.1 mttm -40.05 118.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -55.03 172.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.539 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 15.6 m -66.0 -44.61 92.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -61.01 -47.75 84.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.34 -51.4 45.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 7.2 t -60.93 -56.03 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.539 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 19.6 m-30 -50.62 -51.1 51.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -34.08 74.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.14 -69.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.507 HD12 ' CE2' ' A' ' 102' ' ' PHE . 1.4 mm? -43.93 -59.94 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -38.1 -53.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.012 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -59.64 -44.94 93.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 12.4 mtm -75.16 165.35 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -161.78 174.54 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 78.22 -166.71 52.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.14 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.4 m -68.3 97.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -91.32 142.91 27.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.5 m -95.74 99.63 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 60.7 m-85 -88.09 117.94 27.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.3 t -106.1 94.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -137.15 160.92 37.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 mt -104.49 124.16 38.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 115.89 4.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.2 t -73.65 80.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -77.81 54.23 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.2 110.1 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 172.41 16.42 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t -137.69 141.46 41.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.39 134.63 53.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -152.0 168.49 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -131.25 131.91 44.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.1 127.09 6.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -152.78 169.16 23.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 166.38 6.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.83 173.57 0.2 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -173.63 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' THR . 81.2 mt -107.93 154.96 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 9' ' ' ILE . 58.0 m 56.78 161.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.14 107.34 15.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.67 63.33 8.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.35 18.97 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.464 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 83.1 t -119.98 18.5 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 48.1 m-85 -38.88 139.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -75.92 -144.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.23 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -57.65 111.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.6 mp -98.87 142.87 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.08 60.93 3.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -176.01 55.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.553 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -66.95 100.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.52 -67.69 2.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.76 -44.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -163.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.07 122.82 17.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.6 m -107.43 138.42 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -99.82 115.49 29.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.467 ' CG2' HG21 ' A' ' 101' ' ' THR . 4.6 mp -86.26 146.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.44 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -150.68 118.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.5 mtt180 -91.23 108.06 19.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.512 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 81.2 mt -101.46 137.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.404 ' N ' HG23 ' A' ' 31' ' ' ILE . 30.8 mt-10 -90.15 119.64 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.306 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.687 ' HZ2' ' N ' ' A' ' 39' ' ' LEU . 2.8 mtpp -119.96 125.34 48.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -70.58 172.6 8.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -81.06 20.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.7 t0 -174.18 34.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -119.45 123.32 28.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . 0.507 ' C ' ' NZ ' ' A' ' 33' ' ' LYS . 18.3 Cg_endo -75.0 157.86 42.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.687 ' N ' ' HZ2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -64.91 -58.28 6.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.37 35.23 26.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -143.4 122.71 13.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.767 . . . . 0.0 109.31 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -85.41 150.64 24.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.522 HG22 ' CE1' ' A' ' 90' ' ' PHE . 1.4 m -139.6 148.69 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.59 158.6 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -95.2 124.04 39.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.587 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -107.04 165.06 11.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.587 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.9 mmm -19.66 -57.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.4 m-20 -153.23 22.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.4 m -133.3 153.53 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.67 100.94 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.422 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp -102.15 154.04 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.432 ' CG2' ' HA ' ' A' ' 69' ' ' GLU . 3.9 mm -68.59 149.32 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.82 -46.88 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 4.7 ttt180 -150.05 162.95 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.436 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 13.2 mm -127.32 120.18 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 t -82.62 147.18 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -91.91 134.99 34.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.09 -9.25 56.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.65 -174.14 41.43 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.82 -40.68 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.786 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.525 ' CB ' ' CD1' ' A' ' 39' ' ' LEU . . . -59.67 -55.14 38.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -48.09 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 3.5 mttt -38.14 -65.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.9 p -45.45 -44.02 11.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.99 33.56 84.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.44 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 9.9 mt -105.58 -1.47 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.512 ' CD1' ' CD1' ' A' ' 31' ' ' ILE . 4.5 mt -127.35 129.69 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.76 153.58 51.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.545 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.432 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 31.3 mt-10 -60.25 130.36 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.55 -3.5 36.86 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 18.9 m-20 -84.22 128.48 34.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 109.301 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.3 tt0 -92.32 130.4 38.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 19.9 t -90.87 138.79 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.446 ' O ' ' N ' ' A' ' 81' ' ' ILE . 0.3 OUTLIER -126.68 -55.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -134.92 144.76 47.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.273 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 41.3 mt -137.81 106.92 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 69.87 9.52 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.75 -27.2 8.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 mp -71.1 138.62 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.45 156.44 36.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.446 ' N ' ' O ' ' A' ' 74' ' ' LEU . 3.5 mm -126.61 -45.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.409 ' NE ' HD21 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -39.34 115.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.35 -43.46 1.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.8 mttm -44.89 133.9 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -58.83 141.2 53.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.459 HG21 ' CG2' ' A' ' 43' ' ' VAL . 7.4 p -47.66 -31.87 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.488 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -76.23 -43.28 42.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -49.29 -43.05 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 47.9 t -63.15 -53.61 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.522 ' CE1' HG22 ' A' ' 43' ' ' VAL . 22.9 m-30 -46.51 -54.32 9.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' LEU . 1.2 t0 -58.54 -53.38 59.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.4 ' C ' ' O ' ' A' ' 91' ' ' ASP . 0.3 OUTLIER -39.51 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . . . . . . . . . 70.6 mt -50.67 -42.37 56.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -16.16 19.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -114.78 23.23 12.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.462 ' CE ' HD23 ' A' ' 100' ' ' LEU . 19.7 mtm -134.74 147.05 49.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.45 155.02 41.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.93 -177.84 31.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -66.26 108.63 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.475 ' CD1' ' HB2' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -102.53 143.66 31.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 28' ' ' ILE . 13.0 m -95.55 101.78 13.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 44.1 m-85 -83.97 118.39 23.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.77 94.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.493 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.5 OUTLIER -139.52 159.85 41.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 2.4 mt -107.42 129.97 23.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.95 119.53 5.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.5 t -75.33 80.32 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 t -76.48 55.3 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.77 -145.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 115.01 4.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.85 139.08 23.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.2 p -56.26 119.01 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -49.0 -59.3 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -164.21 97.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.58 154.58 9.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.541 1.15 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t -173.96 111.62 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -161.75 171.05 18.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.39 144.77 3.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.83 4.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.752 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 mt -72.05 140.54 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.06 -148.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -93.18 -145.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 5.6 tt0 -112.54 55.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.08 12.16 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 21.7 t -99.69 19.17 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -37.91 133.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.17 -143.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -58.48 120.23 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mt -108.77 142.75 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.65 63.25 1.9 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -172.84 50.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.612 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.514 ' CD1' HG22 ' A' ' 26' ' ' VAL . 3.6 m-30 -67.25 95.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.74 -72.49 2.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.38 -45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -162.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 0.743 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.91 122.25 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.514 HG22 ' CD1' ' A' ' 21' ' ' TYR . 5.5 m -104.97 137.2 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -102.65 110.7 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.478 ' CG2' HG22 ' A' ' 101' ' ' THR . 4.6 mp -81.6 124.06 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -126.83 119.34 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -94.52 116.35 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.487 ' CD1' ' CD1' ' A' ' 67' ' ' LEU . 76.1 mt -108.02 136.11 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -93.14 114.82 27.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.454 ' O ' ' N ' ' A' ' 98' ' ' GLY . 7.9 mtpm? -121.27 130.33 53.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -72.93 172.24 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -81.53 17.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -163.68 31.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.45 129.41 25.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.63 42.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.469 HD23 ' CD1' ' A' ' 93' ' ' LEU . 25.8 tp -66.24 -58.76 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 75.55 36.74 42.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.097 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.22 116.88 8.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 109.263 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -85.65 158.18 20.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.42 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 3.5 m -148.01 146.48 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.26 163.18 12.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 98.35 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.579 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.1 mm-40 -81.26 164.85 21.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.579 ' C ' ' O ' ' A' ' 46' ' ' GLU . 4.4 mmm -20.07 -58.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -155.06 24.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.8 m -132.8 153.06 51.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 79.1 t -103.0 98.44 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.447 HD13 ' N ' ' A' ' 51' ' ' ILE . 2.0 mp -102.64 151.61 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 53' ' ' SER . 39.9 mm -64.09 143.65 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.403 ' N ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -114.55 -45.66 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.419 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.1 ttt-85 -153.2 160.59 42.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.419 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 40.6 mm -122.38 120.61 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 11.5 t -84.67 144.64 9.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -82.62 137.84 34.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 57' ' ' LYS . . . 91.91 3.62 67.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.89 164.76 32.78 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.39 -20.77 63.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.451 ' HB1' ' CD1' ' A' ' 67' ' ' LEU . . . -75.22 -51.39 13.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.12 -64.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.89 -64.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -54.89 -49.63 70.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.84 46.63 16.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.482 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 17.4 mt -115.07 -8.38 12.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.487 ' CD1' ' CD1' ' A' ' 31' ' ' ILE . 1.8 mt -120.93 125.67 48.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -134.39 156.99 47.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.623 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -62.1 114.04 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.05 -10.59 8.81 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 31.7 m-20 -77.33 134.69 38.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 109.278 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 20.1 tt0 -101.61 133.7 45.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.41 ' CG1' HG13 ' A' ' 81' ' ' ILE . 30.8 t -98.72 140.9 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -129.28 -51.3 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -137.87 144.56 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 49.8 mt -135.52 107.14 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 64.58 13.59 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.68 -24.01 14.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.0 mp -72.38 133.25 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.238 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.31 151.23 41.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.445 ' O ' ' N ' ' A' ' 84' ' ' LYS . 4.0 mm -123.35 -42.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.31 114.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . 96.84 -45.57 1.81 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.0 mttm -40.32 135.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 10.0 t70 -68.92 159.5 32.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.495 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 19.0 m -55.53 -41.98 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.406 ' N ' HG21 ' A' ' 86' ' ' VAL . 1.7 m-20 -63.67 -47.75 79.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.31 -51.89 31.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.435 HG21 ' CD1' ' A' ' 81' ' ' ILE . 55.6 t -58.67 -58.46 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.495 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 20.3 m-85 -49.4 -52.22 29.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -42.43 92.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -51.26 -71.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.469 ' CD1' HD23 ' A' ' 39' ' ' LEU . 88.4 mt -45.92 -51.08 13.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.11 -57.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.954 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.79 -39.03 87.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.476 ' CE ' HD23 ' A' ' 100' ' ' LEU . 14.1 mtm -75.25 160.8 29.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.81 149.44 14.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 101.25 -168.18 19.78 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.7 m -67.16 97.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.431 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -94.21 138.64 32.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.478 HG22 ' CG2' ' A' ' 28' ' ' ILE . 5.1 m -90.97 99.94 12.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 74.4 m-85 -89.13 118.35 28.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.9 t -102.2 94.74 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.7 160.34 39.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 mt -108.86 127.2 27.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 118.77 5.38 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.5 t -72.02 79.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.99 55.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.19 111.67 4.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 95.94 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.06 157.32 46.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.29 98.29 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.563 1.164 . . . . 0.0 111.002 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -50.45 -60.4 3.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 0.758 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -176.66 75.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.31 154.82 7.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.555 1.159 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.87 142.13 47.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 0.0 110.018 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.43 112.52 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.17 108.1 0.37 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -169.57 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.5 mm -86.86 132.05 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 t -59.21 157.47 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -152.6 39.25 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.633 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 10.9 tt0 76.09 4.58 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -132.5 74.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 62.1 t -145.83 23.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.633 ' CE2' ' O ' ' A' ' 12' ' ' GLU . 0.1 OUTLIER -111.56 -170.07 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.24 -148.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 p -55.88 110.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.542 HD13 ' CD1' ' A' ' 15' ' ' TYR . 25.6 mm -73.0 -24.78 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 79.71 -78.65 1.75 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.457 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 4.7 p80 -77.71 65.12 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.579 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.545 ' CD1' HG23 ' A' ' 26' ' ' VAL . 4.7 m-85 -56.1 96.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.0 -123.79 30.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.9 -25.96 8.75 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -169.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 0.727 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.9 124.3 19.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.545 HG23 ' CD1' ' A' ' 21' ' ' TYR . 11.6 m -107.77 161.32 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -120.23 118.96 31.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 3.9 mp -95.78 110.9 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.467 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -116.99 117.86 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -94.14 119.08 32.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.497 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 64.6 mt -117.26 139.0 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -86.83 119.11 26.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.45 ' CE ' ' HA ' ' A' ' 39' ' ' LEU . 0.5 OUTLIER -117.64 159.33 23.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.432 ' CB ' ' HB ' ' A' ' 37' ' ' ILE . . . -108.46 169.84 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG2' ' CG ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -81.32 5.18 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.0 24.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.432 ' HB ' ' CB ' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -112.39 123.08 34.92 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.23 18.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.45 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 7.8 tp -46.6 -51.83 14.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.95 35.27 45.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.415 ' HB3' ' CD1' ' A' ' 55' ' ' ILE . . . -145.63 122.7 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -85.66 154.0 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.564 HG22 ' CE1' ' A' ' 90' ' ' PHE . 1.4 m -145.14 146.06 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.62 158.29 17.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -95.48 119.51 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.592 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.7 mm-40 -102.65 164.93 11.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.592 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 mmt -19.53 -57.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.6 m-20 -154.9 23.66 0.44 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.1 m -133.6 153.48 51.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 46.4 t -106.64 105.07 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.432 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.9 mp -107.25 152.78 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.419 HG23 ' N ' ' A' ' 53' ' ' SER . 10.5 mm -67.37 148.55 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.419 ' N ' HG23 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -117.54 -49.48 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.953 -179.97 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 13.8 ttp-105 -148.21 159.38 44.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.482 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 37.3 mm -122.42 114.89 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 t -80.74 147.46 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HG3' ' N ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -78.46 155.91 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.421 ' HA2' ' CE ' ' A' ' 63' ' ' LYS . . . 65.27 9.78 44.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.61 143.48 19.22 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -53.05 -26.25 15.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 109.323 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -78.95 -44.5 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.415 ' O ' ' C ' ' A' ' 63' ' ' LYS . 4.6 tt0 -70.72 -52.77 18.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.421 ' CE ' ' HA2' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -39.16 -62.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.7 p -62.43 -44.09 97.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 78.83 38.18 24.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.155 . . . . 0.0 110.979 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.477 ' CD1' HG13 ' A' ' 31' ' ' ILE . 7.2 mt -98.9 -12.87 20.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 0.742 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.497 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.7 mm? -105.02 130.6 53.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -133.54 129.6 37.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -45.75 126.39 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.16 1.79 35.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.539 1.149 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -86.76 129.2 34.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.0 tt0 -94.88 128.68 41.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.447 ' CG1' HG13 ' A' ' 81' ' ' ILE . 39.4 t -88.87 137.75 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.426 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -124.98 -49.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.74 145.78 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.457 HG21 ' CE ' ' A' ' 96' ' ' MET . 77.4 mt -138.42 109.4 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 68.07 12.89 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.05 -27.93 10.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.7 137.47 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.453 ' O ' ' CE ' ' A' ' 84' ' ' LYS . 4.6 tt0 -76.23 148.51 37.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.447 HG13 ' CG1' ' A' ' 73' ' ' VAL . 3.5 mm -116.64 -43.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.426 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -38.23 114.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.14 -44.58 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 80' ' ' GLU . 22.7 mttm -42.66 141.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . 9.9 t0 -70.97 140.53 50.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.481 HG23 ' CG2' ' A' ' 43' ' ' VAL . 7.9 p -43.96 -34.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.42 -42.62 53.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.45 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.0 OUTLIER -50.92 -45.44 60.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 37.2 t -60.5 -50.01 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CE1' HG22 ' A' ' 43' ' ' VAL . 13.5 m-30 -54.52 -48.11 72.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -30.9 71.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -67.13 -69.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.2 mm? -41.88 -60.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.49 -52.33 1.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -44.03 97.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.5 mtm -74.09 164.21 26.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 35' ' ' ARG . 1.5 p80 -164.2 159.83 20.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.63 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.39 -164.17 28.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.7 m -68.48 97.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.57 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -92.15 141.14 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.8 m -96.7 103.12 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.398 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 77.2 m-85 -92.65 119.98 32.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.8 t -111.35 94.84 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.482 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -131.79 163.82 27.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 11.3 mt -108.3 128.83 24.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.38 5.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 108' ' ' SER . 7.1 t -77.7 64.89 3.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 107' ' ' SER . 0.8 OUTLIER 82.9 -7.23 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.969 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 39.14 -100.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 83.58 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -114.28 88.51 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.974 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.5 p -100.61 143.45 30.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -155.06 168.87 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.58 172.34 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.55 -64.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -45.96 168.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -164.42 170.82 15.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.077 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.73 98.85 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -171.51 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 110.949 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.45 135.33 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.8 m -122.91 154.24 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.487 ' OD2' ' CG2' ' A' ' 14' ' ' VAL . 4.5 p-10 -78.69 104.37 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -80.07 53.62 1.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' C ' ' CG2' ' A' ' 14' ' ' VAL . 3.2 ptt-85 -153.55 71.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' CG2' ' OD2' ' A' ' 11' ' ' ASP . 2.8 t -149.62 20.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -100.0 168.8 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -80.07 -145.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.5 p -61.62 125.75 24.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 mm -82.95 -24.74 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 87.05 -77.03 2.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -71.73 70.21 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.546 ' CD1' ' CG2' ' A' ' 26' ' ' VAL . 2.7 m-85 -64.59 82.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.25 63.24 3.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.54 -54.47 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.767 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.7 126.22 18.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.546 ' CG2' ' CD1' ' A' ' 21' ' ' TYR . 2.2 m -109.7 136.5 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.98 114.27 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.537 ' CG2' ' CG2' ' A' ' 101' ' ' THR . 4.9 mp -87.66 146.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.491 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -147.86 119.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -99.09 115.81 29.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.508 HD12 ' CD2' ' A' ' 67' ' ' LEU . 70.1 mt -113.9 134.05 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -83.07 106.49 14.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.409 ' HG3' ' CB ' ' A' ' 60' ' ' ALA . 0.2 OUTLIER -108.23 159.32 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -110.69 169.87 8.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG2' ' CG ' ' A' ' 97' ' ' HIS . 4.9 mtm180 -82.53 7.94 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -147.37 21.63 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -113.78 130.18 24.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.84 38.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 27.1 tp -76.72 -57.83 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 73.37 39.61 50.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB3' ' CB ' ' A' ' 61' ' ' ALA . . . -145.54 119.12 9.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.6 m -85.67 147.78 26.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.563 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 1.5 m -140.94 150.09 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.512 ' CG ' ' CB ' ' A' ' 53' ' ' SER . 36.7 mtp180 -104.85 152.19 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -96.29 110.07 22.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.591 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.2 mm-40 -92.41 164.5 13.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.591 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.0 mmt -20.15 -56.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.6 m-20 -155.07 23.29 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.7 m -132.88 153.76 51.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.481 HG11 ' CG1' ' A' ' 73' ' ' VAL . 3.3 t -104.04 112.75 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.504 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.6 mp -115.52 134.23 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.452 ' CG2' ' HA ' ' A' ' 69' ' ' GLU . 22.1 mm -56.97 147.19 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.512 ' CB ' ' CG ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -115.23 -52.31 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -149.12 163.82 36.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 37.3 mm -122.4 119.49 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.455 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 10.7 t -86.55 151.99 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.99 153.75 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.37 -0.36 69.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.9 148.12 19.68 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' CB ' ' HG3' ' A' ' 33' ' ' LYS . . . -53.89 -27.97 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' CB ' ' HB3' ' A' ' 41' ' ' ALA . . . -69.96 -57.29 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 6.0 tt0 -63.65 -50.06 70.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -40.09 -65.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.412 ' OG ' ' CD1' ' A' ' 31' ' ' ILE . 66.0 p -69.15 -34.97 75.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.69 42.24 62.67 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.491 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 11.2 mt -100.52 -11.84 19.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.726 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.508 ' CD2' HD12 ' A' ' 31' ' ' ILE . 3.9 mm? -103.99 131.96 50.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -133.4 135.55 44.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.622 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.452 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 46.2 mt-10 -51.72 129.2 25.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.47 -8.78 44.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -73.14 131.56 42.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.247 -179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.464 ' HG2' ' CD2' ' A' ' 74' ' ' LEU . 33.0 tt0 -105.53 100.34 9.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.481 ' CG1' HG11 ' A' ' 50' ' ' VAL . 1.7 p -77.69 128.16 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.467 ' O ' ' N ' ' A' ' 81' ' ' ILE . 8.5 mt -114.53 -29.6 6.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.5 tt0 -140.16 141.89 36.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.602 HD13 ' CE2' ' A' ' 102' ' ' PHE . 10.4 mt -134.55 103.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 70.42 10.58 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.19 -25.82 8.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mp -77.57 128.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 1.4 tt0 -64.57 168.96 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.482 HD12 ' CD1' ' A' ' 76' ' ' ILE . 0.8 OUTLIER -135.68 -46.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -36.51 121.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . 98.53 -22.69 39.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' NZ ' ' O ' ' A' ' 80' ' ' GLU . 1.7 mttp -67.04 156.45 36.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -92.11 149.84 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.584 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 3.7 p -51.21 -38.62 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -45.53 72.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -55.26 -56.27 21.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.413 ' CG2' HG22 ' A' ' 81' ' ' ILE . 7.4 t -49.89 -53.64 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.584 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 14.9 m-85 -52.44 -48.0 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -42.82 93.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.413 HD12 ' NZ ' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -50.86 -71.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.45 ' O ' ' N ' ' A' ' 96' ' ' MET . 81.3 mt -43.42 -53.48 5.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.64 -59.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.5 -39.5 80.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.486 ' CE ' HG21 ' A' ' 76' ' ' ILE . 10.5 mtm -76.68 165.07 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -165.5 173.91 10.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.573 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.13 -167.3 50.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.8 m -65.83 101.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.45 134.08 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.537 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 44.2 m -93.15 100.91 13.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.602 ' CE2' HD13 ' A' ' 76' ' ' ILE . 62.8 m-85 -84.88 123.91 31.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.95 94.37 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.478 ' HB3' ' CA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -133.0 156.37 47.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 5.2 mt -104.01 126.44 31.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.25 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 111.56 3.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.7 t -74.0 81.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 m -74.95 54.73 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -108.48 101.41 1.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -12.59 21.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.6 p -51.68 117.31 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.21 101.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.49 122.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 110.031 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -179.74 153.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.3 140.3 5.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -136.35 -64.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 t -166.99 -70.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.72 -76.11 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 100.56 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.1 mt -79.41 141.47 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p -70.12 -174.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.387 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.11 125.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.48 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 8.5 tt0 -156.67 99.98 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' CG ' ' C ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 51.8 21.56 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.48 ' CG2' ' O ' ' A' ' 12' ' ' GLU . 16.9 t -105.98 18.53 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -72.71 -171.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 17' ' ' SER . 2.7 pt-20 -114.56 -149.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -62.4 109.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.425 HG22 ' N ' ' A' ' 19' ' ' GLY . 2.6 mp -97.71 142.54 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.425 ' N ' HG22 ' A' ' 18' ' ' ILE . . . -81.44 57.38 4.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.419 1.075 . . . . 0.0 111.026 -179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.73 -70.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 109.644 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.441 ' CD1' ' CG2' ' A' ' 26' ' ' VAL . 32.7 m-85 50.36 94.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.33 -133.2 2.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.85 63.82 0.38 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -151.99 -175.27 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 110.277 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.29 121.85 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.441 ' CG2' ' CD1' ' A' ' 21' ' ' TYR . 1.7 m -110.18 136.24 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.63 111.96 24.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.431 ' CG2' HG21 ' A' ' 101' ' ' THR . 86.6 mt -88.55 152.67 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.473 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -149.3 118.63 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -89.58 104.5 17.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 73.8 mt -99.45 138.06 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -91.71 107.0 18.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 6.6 tttt -110.23 160.12 16.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -118.82 169.83 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -82.9 10.54 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -148.96 25.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.15 127.71 26.52 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.02 27.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 53.8 tp -56.42 -57.55 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 70.05 35.55 71.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . 0.479 ' HB1' ' CB ' ' A' ' 61' ' ' ALA . . . -145.81 120.21 9.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ARG . 3.8 m -85.36 151.57 23.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.566 HG23 ' CE1' ' A' ' 90' ' ' PHE . 1.4 m -140.43 149.67 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 45.0 mtp180 -105.16 149.11 26.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -100.45 110.55 22.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.599 ' O ' ' C ' ' A' ' 47' ' ' MET . 42.2 mm-40 -97.41 165.16 12.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.599 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -18.61 -58.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' GLU . 9.5 m-20 -155.97 25.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.411 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 11.2 m -131.12 154.4 48.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.465 HG13 ' CG1' ' A' ' 73' ' ' VAL . 16.6 t -107.33 118.53 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 72' ' ' GLU . 7.3 mm -124.0 132.14 71.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.425 ' CG2' ' HA ' ' A' ' 69' ' ' GLU . 18.0 mm -56.81 141.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.494 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -107.31 -53.74 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.006 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.7 ttt180 -149.32 163.42 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.459 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 49.4 mm -124.04 119.33 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' GLY . 11.0 t -85.01 147.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -78.02 146.66 35.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.09 -9.39 60.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 61' ' ' ALA . . . -79.29 133.75 12.9 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLY . . . -39.78 -30.5 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.479 ' CB ' ' HB1' ' A' ' 41' ' ' ALA . . . -65.85 -60.1 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 4.8 tt0 -60.14 -55.58 32.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -40.72 -62.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.411 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 81.8 p -64.99 -25.16 67.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 57.39 37.81 83.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.473 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 9.6 mt -109.57 11.62 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD2' HD22 ' A' ' 104' ' ' LEU . 18.7 mt -138.31 123.15 18.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.26 156.66 48.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.425 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 50.5 mt-10 -61.68 130.09 44.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.13 -13.03 34.08 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . 0.439 ' CG ' ' CD1' ' A' ' 104' ' ' LEU . 1.6 m-20 -72.21 123.12 22.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.456 ' HB2' ' CD1' ' A' ' 51' ' ' ILE . 43.8 tt0 -100.08 99.37 10.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.49 ' CA ' ' HB3' ' A' ' 104' ' ' LEU . 2.2 p -77.87 132.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.466 ' CD2' ' NH1' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -115.92 -33.36 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.237 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -140.51 145.75 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.589 HD11 ' CE2' ' A' ' 102' ' ' PHE . 9.8 mt -135.92 110.85 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 59.91 15.1 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.18 -28.93 8.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.405 HG23 ' CD2' ' A' ' 92' ' ' LEU . 3.8 mp -69.86 134.05 30.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.85 167.4 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.49 HD11 ' CD1' ' A' ' 76' ' ' ILE . 1.1 mm -137.03 -49.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.466 ' NH1' ' CD2' ' A' ' 74' ' ' LEU . 0.0 OUTLIER -38.29 114.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . 101.25 -43.34 1.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' ILE . 15.6 mttm -42.28 130.18 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 88' ' ' GLU . 28.5 t70 -70.68 150.67 45.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . . . . . . . . . 4.0 p -43.07 -37.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -44.2 65.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.464 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.1 OUTLIER -52.41 -55.79 19.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.446 ' CG2' HD13 ' A' ' 81' ' ' ILE . 2.9 t -54.38 -44.27 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.566 ' CE1' HG23 ' A' ' 43' ' ' VAL . 13.8 m-30 -63.59 -68.33 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.62 -25.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.42 ' N ' ' C ' ' A' ' 90' ' ' PHE . 0.7 OUTLIER -70.08 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.463 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 60.9 mt -45.83 -53.61 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.0 t -39.06 -57.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -38.78 83.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' LEU . 11.1 mtm -77.91 166.51 22.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -168.57 164.11 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.67 -164.63 33.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.3 m -66.28 99.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 110.452 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -99.77 137.77 37.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.431 HG21 ' CG2' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -93.38 103.29 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.589 ' CE2' HD11 ' A' ' 76' ' ' ILE . 17.3 m-85 -87.13 116.77 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 46.8 t -102.76 94.01 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.49 ' HB3' ' CA ' ' A' ' 73' ' ' VAL . 0.1 OUTLIER -134.26 158.49 43.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 32.1 mt -104.3 125.62 33.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 113.07 3.71 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.4 t -84.82 82.59 8.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.02 54.07 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -64.63 -99.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 p -160.05 144.02 14.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.5 m -112.29 145.24 40.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.95 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -135.84 170.29 16.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t -159.77 159.4 32.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.963 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.1 144.02 16.15 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.96 87.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.952 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -179.62 -47.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.83 149.23 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.61 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mt -76.85 130.53 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' ASP . 80.9 m -116.74 1.54 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' THR . 19.4 m-20 53.02 100.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.407 ' O ' ' OH ' ' A' ' 15' ' ' TYR . 4.4 tt0 -75.22 55.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.437 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 2.7 ptm180 -151.98 75.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.437 ' CG2' ' O ' ' A' ' 13' ' ' ARG . 60.8 t -154.56 24.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.565 ' CE1' HD13 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -107.88 171.49 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.1 -143.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.4 p -53.44 153.78 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.565 HD13 ' CE1' ' A' ' 15' ' ' TYR . 11.7 mm -100.24 -31.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.8 -67.09 2.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.11 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' GLY . 27.6 p-80 -78.65 64.2 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.619 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -56.6 84.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . 42.17 94.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . 0.402 ' O ' ' CG ' ' A' ' 24' ' ' GLU . . . 38.22 71.43 0.23 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER 179.08 168.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.739 . . . . 0.0 110.341 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.69 121.1 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.17 139.95 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -98.97 108.8 21.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.3 mp -80.35 117.31 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -119.29 121.09 65.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.0 mtt180 -103.3 120.15 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.57 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 97.3 mt -117.47 143.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -94.78 95.11 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -101.21 105.18 16.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -61.25 159.46 12.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HD2' ' CD2' ' A' ' 97' ' ' HIS . 27.1 ttt180 -70.5 -5.76 31.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -126.49 10.29 7.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.1 mm -104.24 129.05 25.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.56 36.93 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.466 ' CD2' HD13 ' A' ' 93' ' ' LEU . 2.6 tp -79.74 -56.83 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 65.4 39.49 95.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.29 115.56 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.7 m -85.75 153.92 21.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -146.73 146.68 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 171.61 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.46 107.24 17.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.605 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.9 OUTLIER -88.24 164.75 15.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.605 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.9 mmm -18.2 -60.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.5 m-20 -151.41 21.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.1 m -132.77 153.87 50.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.477 ' CG2' ' O ' ' A' ' 81' ' ' ILE . 3.4 t -105.85 113.08 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.519 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.7 mp -114.67 153.07 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.73 143.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -42.31 3.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.43 ' O ' ' N ' ' A' ' 42' ' ' THR . 5.7 ttt180 -157.56 161.44 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.402 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 36.1 mm -123.74 117.58 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 17.8 t -86.27 134.14 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -70.74 146.44 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' HE3' ' A' ' 57' ' ' LYS . . . 91.18 -6.78 81.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.22 164.55 38.57 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.402 ' O ' ' OG ' ' A' ' 64' ' ' SER . . . -65.59 -44.91 85.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -48.45 -55.53 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 5.3 tt0 -57.17 -62.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 4.0 mttt -39.93 -68.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.402 ' OG ' ' O ' ' A' ' 60' ' ' ALA . 0.7 OUTLIER -52.53 -53.88 40.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 86.19 44.89 5.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.488 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . 15.7 mt -112.06 -17.07 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.57 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.2 mm? -103.42 122.6 45.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -133.72 135.77 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -47.08 119.65 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.88 -13.04 17.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -71.82 133.12 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 25.6 tt0 -101.75 124.3 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.426 ' CG1' HG22 ' A' ' 81' ' ' ILE . 3.5 t -91.61 116.47 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -99.38 -56.97 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -137.09 151.85 49.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.47 HG23 ' CE ' ' A' ' 96' ' ' MET . 50.8 mt -137.92 109.01 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.24 10.48 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.05 -28.04 8.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mp -73.4 141.35 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.483 ' CB ' ' HE2' ' A' ' 84' ' ' LYS . 2.0 mt-10 -69.49 158.86 34.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.477 ' O ' ' CG2' ' A' ' 50' ' ' VAL . 4.5 mm -135.99 -43.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 81' ' ' ILE . 2.4 mtt180 -35.12 -93.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -42.23 -34.52 1.56 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' A' ' 80' ' ' GLU . 15.1 mttm -57.48 133.48 55.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 9.1 t70 -74.84 168.51 19.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.422 HG22 ' N ' ' A' ' 87' ' ' ASN . 16.4 m -60.33 -48.59 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . 0.422 ' N ' HG22 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -57.6 -47.86 81.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -57.16 -31.61 65.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.46 HG22 ' CD1' ' A' ' 81' ' ' ILE . 19.7 t -77.97 -52.71 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -53.05 -32.47 47.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -35.18 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.07 -70.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.466 HD13 ' CD2' ' A' ' 39' ' ' LEU . 84.6 mt -43.97 -49.55 8.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.44 -57.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -36.46 83.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.47 ' CE ' HG23 ' A' ' 76' ' ' ILE . 2.4 mtm -76.39 165.85 24.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -168.35 -178.63 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.567 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.4 -163.12 53.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 m -69.64 100.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.58 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -96.21 132.8 41.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 94.2 m -88.37 102.45 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 67.0 m-85 -90.52 117.21 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.1 t -101.62 94.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.46 171.49 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.0 mt -122.16 125.99 26.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 109' ' ' GLY . 2.9 t -69.03 64.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 41.22 28.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 -179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 107' ' ' SER . . . 57.76 177.39 0.6 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 68.83 5.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -39.83 125.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 m -84.75 99.39 10.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.21 123.76 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t 66.69 163.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.24 -159.77 9.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.58 153.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 t -118.02 108.76 15.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.43 120.28 18.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.87 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 mt -77.54 148.21 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.3 m -117.68 159.21 23.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.05 94.47 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.05 52.3 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.514 ' O ' ' CG2' ' A' ' 14' ' ' VAL . 1.7 mtp85 -147.15 79.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.514 ' CG2' ' O ' ' A' ' 13' ' ' ARG . 70.7 t -158.28 23.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -123.97 163.01 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -92.85 -147.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -57.23 121.34 9.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mt -107.61 147.48 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.05 59.63 2.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -174.51 57.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.596 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.55 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.4 m-85 -68.14 83.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.66 -109.75 3.58 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.3 -31.31 3.31 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -169.69 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 110.253 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.5 121.78 20.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.55 HG21 ' CD1' ' A' ' 21' ' ' TYR . 12.6 m -105.23 139.48 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -107.25 114.86 29.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.528 ' CG2' ' CG2' ' A' ' 101' ' ' THR . 3.6 mp -83.46 153.5 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -153.62 117.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -92.22 125.54 36.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.599 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 73.3 mt -121.06 134.87 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.82 113.98 26.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.466 ' HG3' ' CB ' ' A' ' 60' ' ' ALA . 3.3 mtpt -120.65 131.16 54.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -74.76 171.52 13.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -80.57 9.97 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.69 29.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -117.42 129.07 25.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.47 29.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.445 1.761 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.433 HD22 ' CD1' ' A' ' 93' ' ' LEU . 37.7 tp -81.99 -46.49 13.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.469 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 63.99 40.01 97.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.26 120.29 10.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 0.722 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.3 m -86.0 147.22 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 27.5 m -136.56 153.38 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.469 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 55.8 mtp180 -101.68 173.35 6.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -117.31 98.91 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.582 ' O ' ' C ' ' A' ' 47' ' ' MET . 4.4 mm-40 -84.94 165.07 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.582 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mmt -20.67 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -153.87 23.98 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.7 m -130.51 154.36 47.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.472 ' CG1' HG11 ' A' ' 73' ' ' VAL . 20.6 t -106.47 113.25 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.418 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 3.0 mp -116.44 145.72 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.423 HG22 ' N ' ' A' ' 53' ' ' SER . 26.3 mm -64.27 143.09 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.469 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -112.61 -48.5 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.4 ttt180 -151.51 163.17 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 41.3 mm -121.78 118.59 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.469 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 11.5 t -82.95 140.72 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 128.59 33.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.97 -14.72 37.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.27 165.26 53.47 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' HG3' ' A' ' 33' ' ' LYS . . . -73.38 -28.29 61.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.779 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -67.05 -46.42 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 5.0 tt0 -58.61 -68.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -39.8 -56.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.405 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 32.6 p -60.37 -38.91 85.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 63.51 39.24 97.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.405 ' HG ' ' CB ' ' A' ' 64' ' ' SER . 11.7 mt -102.04 -16.41 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.4 mm? -104.45 130.39 52.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -133.53 134.45 43.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -47.02 115.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.86 -6.15 18.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.68 121.7 23.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 57.2 tt0 -94.28 126.43 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.498 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 0.2 OUTLIER -103.05 138.02 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.421 HD22 ' NH1' ' A' ' 82' ' ' ARG . 1.8 mt -121.44 -42.35 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.4 mt-10 -134.97 143.29 46.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.613 HD13 ' CE2' ' A' ' 102' ' ' PHE . 5.2 mt -133.74 103.98 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.24 8.49 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.9 -24.37 8.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.45 HG22 ' CD1' ' A' ' 92' ' ' LEU . 3.1 mp -70.42 128.57 33.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -77.06 117.29 18.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.486 HD12 ' CD1' ' A' ' 76' ' ' ILE . 1.0 OUTLIER -90.14 -26.34 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.421 ' NH1' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -45.9 105.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.06 -29.51 9.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' ILE . 1.2 mttp -56.2 138.13 50.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.784 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -78.96 170.51 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.168 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.457 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 27.6 m -59.92 -48.82 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -62.79 -45.19 93.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -52.17 -51.82 55.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.474 ' CG2' HG22 ' A' ' 81' ' ' ILE . 16.0 t -58.19 -63.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 17.5 m-85 -42.18 -34.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -49.8 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.45 ' CD1' HG22 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -43.54 -71.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.433 ' CD1' HD22 ' A' ' 39' ' ' LEU . 85.2 mt -44.35 -51.32 8.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.09 -46.0 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.59 -37.32 65.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.453 ' CE ' HD22 ' A' ' 100' ' ' LEU . 13.7 mtm -79.2 170.74 16.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.71 151.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 101.01 -166.95 19.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -66.27 97.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.453 HD22 ' CE ' ' A' ' 96' ' ' MET . 0.5 OUTLIER -96.12 136.99 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.528 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 31.8 m -94.23 103.23 15.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.613 ' CE2' HD13 ' A' ' 76' ' ' ILE . 24.6 m-85 -85.31 116.4 23.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.43 93.28 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -136.88 168.61 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.2 mt -116.62 131.29 23.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 117.0 4.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 108' ' ' SER . 29.6 t -82.92 69.29 9.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 107' ' ' SER . 1.5 t 85.61 -12.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.05 -118.71 6.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -36.19 2.69 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.1 p -174.29 168.45 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 52.6 m -74.21 123.31 24.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 p -105.79 107.98 19.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -151.18 151.17 31.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.37 100.85 0.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.76 119.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 110.044 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -158.82 116.3 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.63 87.35 1.78 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 68.37 5.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.08 150.79 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -94.63 157.01 16.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.365 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -151.95 92.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -78.79 59.51 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.43 ' CD ' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -133.95 6.96 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.43 HG13 ' CD ' ' A' ' 13' ' ' ARG . 22.4 m -111.81 87.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -107.63 172.84 6.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.31 -148.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -64.12 114.66 4.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.475 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 2.8 mp -95.31 140.6 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -52.13 -78.4 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 111.042 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 1.8 p80 -58.19 100.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.509 ' CD2' HG12 ' A' ' 26' ' ' VAL . 1.3 m-30 -87.07 74.31 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.57 -64.32 2.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.18 -47.97 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -166.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.79 123.94 21.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.509 HG12 ' CD2' ' A' ' 21' ' ' TYR . 12.9 m -105.37 140.82 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -97.33 119.41 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.6 mp -93.56 130.87 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.469 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -137.83 117.78 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -92.16 109.29 20.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.242 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.457 ' CD1' HD11 ' A' ' 67' ' ' LEU . 53.0 mt -102.59 135.18 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.369 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -93.23 117.75 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' GLY . 34.2 mtpt -123.93 132.09 53.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -73.89 171.45 13.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 2.7 ttt180 -81.48 38.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 171.23 40.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -122.26 129.42 25.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.46 27.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 24.9 tp -59.63 -44.35 93.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 63.95 33.77 88.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.62 120.3 9.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.335 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.1 m -85.59 150.08 24.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.479 ' CG1' HD12 ' A' ' 52' ' ' ILE . 3.8 m -148.46 138.96 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -104.39 149.41 25.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 84' ' ' LYS . 4.5 t-20 -95.15 105.19 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.643 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.7 mm-40 -80.98 169.21 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.643 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.2 mmt -11.54 -65.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.5 m-20 -145.82 18.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 46' ' ' GLU . 48.8 m -133.91 136.84 44.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.465 ' CG1' ' HB ' ' A' ' 73' ' ' VAL . 1.9 p -93.11 110.39 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.534 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.5 mp -110.29 150.25 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.479 HD12 ' CG1' ' A' ' 43' ' ' VAL . 28.3 mm -60.03 148.3 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.06 -46.84 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 42' ' ' THR . 2.4 ttt180 -155.29 161.71 41.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 47.1 mm -123.47 120.34 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' GLY . 13.8 t -88.17 142.9 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -75.58 149.25 38.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.43 -1.85 69.53 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.42 152.77 36.3 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.53 -34.37 72.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' HB3' ' CD1' ' A' ' 67' ' ' LEU . . . -61.82 -60.17 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.18 -57.65 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -40.82 -68.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.0 p -53.85 -31.62 50.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.2 43.12 99.8 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 14.3 mt -115.97 9.31 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD1' ' HB3' ' A' ' 61' ' ' ALA . 15.8 mt -136.07 125.81 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . 0.463 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -133.21 154.29 50.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.91 126.92 29.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.71 -3.97 32.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -80.82 131.3 35.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 27.3 tt0 -96.82 130.38 44.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.465 ' HB ' ' CG1' ' A' ' 50' ' ' VAL . 35.0 t -101.3 140.04 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.455 ' CD2' ' HG2' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -128.31 -45.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.92 141.24 46.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 39.6 mt -128.97 107.62 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 t-20 69.77 8.3 6.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.09 -24.56 11.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.162 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.65 126.66 32.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.06 140.94 50.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.474 ' O ' ' C ' ' A' ' 82' ' ' ARG . 1.1 mt -118.37 -39.33 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -31.47 110.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.12 16.87 36.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.472 ' N ' ' O ' ' A' ' 81' ' ' ILE . 21.7 mttm -98.09 -170.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -127.64 150.91 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.563 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 15.8 m -46.8 -53.42 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -54.25 -47.84 71.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 180.0 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -58.98 -47.24 85.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 72.8 t -60.78 -45.63 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.563 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 20.7 m-85 -63.34 -62.54 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -29.08 6.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -63.03 -70.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.458 ' O ' ' N ' ' A' ' 96' ' ' MET . 75.4 mt -48.14 -48.46 34.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.25 -57.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -38.14 86.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.458 ' N ' ' O ' ' A' ' 93' ' ' LEU . 15.2 mtm -76.27 163.8 26.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.491 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -166.51 153.74 9.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 96.69 -167.0 24.14 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.6 m -65.82 106.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.515 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -105.07 135.67 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 4.9 m -89.83 101.83 14.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.515 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 71.0 m-85 -89.32 122.04 32.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.8 98.03 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -137.99 167.76 21.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.13 132.89 23.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 119.02 5.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -79.06 81.35 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.973 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -82.54 50.26 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -83.22 -77.63 1.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 95.17 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.13 134.6 50.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.2 t -90.96 138.98 31.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.055 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.59 138.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.35 147.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.46 155.17 9.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.7 147.67 26.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.31 96.86 2.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.33 159.52 32.37 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -166.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.809 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.56 128.08 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.9 m -83.58 161.18 21.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -155.51 100.14 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.562 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 6.3 pt-20 -113.11 28.75 8.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.509 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -115.49 -14.77 11.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.626 ' O ' ' C ' ' A' ' 15' ' ' TYR . 14.2 t -105.19 21.59 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.626 ' C ' ' O ' ' A' ' 14' ' ' VAL . 11.7 m-85 -13.13 119.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -141.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 p -63.56 114.38 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.527 ' CD1' ' CB ' ' A' ' 15' ' ' TYR . 3.3 mt -116.69 140.57 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.406 ' N ' HG22 ' A' ' 18' ' ' ILE . . . -65.93 70.71 0.13 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER 178.68 51.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.563 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.91 80.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.05 91.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.26 63.65 1.3 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -165.17 169.86 15.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.14 122.08 26.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.473 ' CG1' HG12 ' A' ' 105' ' ' ILE . 0.6 OUTLIER -119.15 145.37 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -100.73 109.12 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 4.2 mp -85.84 121.88 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.458 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -126.76 119.49 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -95.65 115.63 27.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.587 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 69.4 mt -115.3 138.62 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.419 ' HA ' ' HA ' ' A' ' 99' ' ' THR . 0.4 OUTLIER -100.13 133.32 44.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 -179.993 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.473 ' HG2' ' CB ' ' A' ' 60' ' ' ALA . 35.2 mtpt -134.13 146.29 50.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.425 ' C ' ' H ' ' A' ' 36' ' ' ASP . . . -75.92 171.55 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.452 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 5.2 ttt85 -81.04 30.09 0.33 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.425 ' H ' ' C ' ' A' ' 34' ' ' ALA . 31.6 p-10 -179.57 36.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -117.03 127.25 26.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 140.25 25.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 42.4 tp -59.11 -31.59 69.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.94 40.07 71.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -144.78 124.85 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -85.51 151.25 24.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.568 HG23 ' CZ ' ' A' ' 90' ' ' PHE . 1.4 m -143.18 143.62 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -105.86 154.75 20.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -94.71 118.75 32.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.598 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.4 mm-40 -99.85 164.92 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mmm -19.36 -58.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' GLU . 15.2 m-20 -152.54 22.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.4 m -132.83 153.74 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 60.5 t -107.43 104.68 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.425 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp -108.05 154.03 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.178 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.402 ' N ' HG23 ' A' ' 51' ' ' ILE . 9.3 mm -67.84 147.74 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.402 ' N ' HG22 ' A' ' 52' ' ' ILE . 0.0 OUTLIER -115.69 -48.46 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.988 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 0.8 OUTLIER -150.11 162.86 39.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.415 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 42.2 mm -124.17 118.8 54.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -84.69 148.98 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.62 151.46 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.44 3.51 62.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.428 ' O ' ' CG ' ' A' ' 63' ' ' LYS . . . -84.77 150.57 25.44 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 33' ' ' LYS . . . -54.31 -45.75 72.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -53.76 -61.42 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' LYS . 10.8 tt0 -55.84 -52.18 64.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -39.31 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.4 p -57.2 -39.02 74.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.75 40.68 36.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.486 ' CD1' HG13 ' A' ' 31' ' ' ILE . 6.4 mt -104.38 -14.63 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.5 mm? -103.68 130.14 51.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -133.07 138.05 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -51.22 125.82 15.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.05 1.83 38.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -84.02 128.54 34.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 24.1 tt0 -95.42 129.48 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.419 ' CG1' HD12 ' A' ' 76' ' ' ILE . 15.4 t -92.03 132.17 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -122.23 -46.92 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -142.92 142.23 31.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.541 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 34.2 mt -135.61 102.17 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 1.4 t-20 85.99 -35.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.09 -25.67 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.4 mp -74.8 150.19 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.264 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -81.78 148.41 28.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 3.6 mm -118.15 -41.47 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.25 107.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.18 -14.72 30.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -74.77 157.37 35.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.1 t0 -81.38 137.35 35.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.485 HG23 ' CG2' ' A' ' 43' ' ' VAL . 7.8 p -41.11 -45.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -44.39 84.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.2 mt-10 -49.01 -50.63 35.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 53.7 t -54.95 -51.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.568 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 14.4 m-85 -57.85 -37.14 73.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.79 -25.31 63.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -74.83 -65.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.47 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.4 mm? -43.9 -60.46 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -38.09 -55.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.91 -42.95 90.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.47 ' N ' ' O ' ' A' ' 93' ' ' LEU . 7.4 mtm -73.43 160.66 31.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.452 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 1.9 p80 -161.44 150.09 15.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.628 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 97.51 -162.97 21.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' THR . . . . . 0.419 ' HA ' ' HA ' ' A' ' 32' ' ' GLU . 0.2 OUTLIER -70.26 97.38 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 110.408 -179.957 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.452 ' CD2' ' HE1' ' A' ' 96' ' ' MET . 0.2 OUTLIER -95.36 137.13 34.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -90.37 106.46 18.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.438 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 58.3 m-85 -93.06 119.31 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -104.61 94.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -136.77 159.93 40.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.473 HG12 ' CG1' ' A' ' 26' ' ' VAL . 9.8 mt -108.96 130.17 23.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.82 5.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 109' ' ' GLY . 5.5 t -78.88 54.85 1.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.3 t 40.03 29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 107' ' ' SER . . . 44.66 89.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.88 5.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.4 149.06 37.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.92 126.51 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.955 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -85.57 146.86 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.422 0.719 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.91 -55.99 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.77 -144.59 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 7' ' ' GLY . 67.8 p -174.68 179.01 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.17 -82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 124.36 150.85 7.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 102.78 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mm -81.86 128.48 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.0 m -127.49 162.42 26.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.421 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.99 112.59 24.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 6.1 pt-20 -175.7 119.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.483 ' O ' ' HB ' ' A' ' 14' ' ' VAL . 4.0 mtp180 54.58 88.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' C ' ' A' ' 15' ' ' TYR . 9.7 p 178.98 -28.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.487 ' C ' ' O ' ' A' ' 14' ' ' VAL . 51.9 m-85 -30.74 145.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.52 -145.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.27 101.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.417 ' O ' ' CD1' ' A' ' 21' ' ' TYR . 2.9 mt -89.97 141.32 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.449 ' O ' ' CG2' ' A' ' 26' ' ' VAL . . . -49.58 -78.35 0.1 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -48.22 97.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.612 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.473 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 1.3 m-30 -90.17 33.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.06 -83.21 0.35 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.26 -37.72 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -169.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.2 123.19 20.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.403 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.449 ' CG2' ' O ' ' A' ' 19' ' ' GLY . 6.2 m -108.21 148.22 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -108.5 115.42 30.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.53 142.31 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -147.92 122.44 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.4 mtt180 -97.66 112.99 24.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 83.3 mt -108.4 138.35 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.19 118.54 32.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 98' ' ' GLY . 8.0 mtpm? -124.32 122.86 38.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.42 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -63.63 169.69 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -75.7 0.6 17.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -144.62 28.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.42 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -115.85 126.17 27.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 162.67 36.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.3 tp -72.38 -41.4 66.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.63 38.59 93.96 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.18 117.41 8.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.794 . . . . 0.0 109.292 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -86.39 152.15 22.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 4.3 m -135.21 157.17 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -109.63 158.22 18.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.72 107.04 19.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.2 mm-40 -94.11 164.83 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.572 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.9 mmm -21.21 -57.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -155.98 25.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.6 m -132.68 153.24 51.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.3 t -103.95 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 51' ' ' ILE . 3.8 mp -101.56 150.12 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.427 HG23 ' N ' ' A' ' 53' ' ' SER . 13.0 mm -66.48 145.68 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 52' ' ' ILE . 5.0 p -117.44 -50.27 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.981 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 9.2 ttt180 -142.5 161.91 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 34.8 mm -125.98 117.98 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.77 145.85 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 137.41 36.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.429 ' O ' ' NZ ' ' A' ' 63' ' ' LYS . . . 89.67 -6.16 83.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.57 141.52 26.71 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.53 -35.8 9.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . 0.462 ' HB2' ' CD1' ' A' ' 67' ' ' LEU . . . -59.56 -53.39 58.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.15 -55.83 21.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.429 ' NZ ' ' O ' ' A' ' 58' ' ' GLY . 4.2 mtpt -40.35 -64.93 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 p -61.63 -42.36 98.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.77 43.9 26.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.479 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 28.8 mt -111.04 -0.65 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.462 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 7.8 mt -129.76 123.75 31.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -134.59 155.67 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -58.0 112.85 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.59 40.31 0.94 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -130.81 120.18 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.314 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 23.3 tt0 -86.28 134.6 33.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 14.3 t -99.16 138.5 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 45.8 mt -121.24 -53.49 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -136.73 147.85 46.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 60.8 mt -140.91 105.69 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 69.91 9.63 7.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.63 -29.3 6.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . 0.428 HG21 ' CD2' ' A' ' 92' ' ' LEU . 3.6 mp -73.92 138.45 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . 0.401 ' N ' HG22 ' A' ' 79' ' ' ILE . 0.4 OUTLIER -74.05 165.31 25.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.961 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 4.8 mm -135.25 -46.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.25 116.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.65 -40.8 2.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -48.84 149.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 8.1 t70 -79.54 158.18 27.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.469 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 20.5 m -53.84 -46.32 63.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.12 -47.96 83.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -51.53 42.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 37.4 t -58.85 -55.08 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.469 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 20.3 m-85 -53.39 -43.09 67.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.71 -30.51 70.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.428 ' CD2' HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -66.13 -68.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.472 HD11 ' CZ ' ' A' ' 102' ' ' PHE . 1.5 mm? -45.54 -60.54 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 t -38.99 -47.94 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.74 -44.67 89.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 93' ' ' LEU . 15.4 mtm -76.26 165.2 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.11 151.34 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 99.62 -168.99 21.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.9 m -65.65 99.62 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 0.735 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.467 HD23 ' CE ' ' A' ' 96' ' ' MET . 0.4 OUTLIER -98.37 137.39 37.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.2 m -89.16 99.59 12.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.472 ' CZ ' HD11 ' A' ' 93' ' ' LEU . 65.8 m-85 -86.69 117.59 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.473 HG11 ' CZ ' ' A' ' 21' ' ' TYR . 4.1 t -107.28 94.13 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.506 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -133.86 158.79 42.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.407 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 2.5 mt -107.38 132.2 21.14 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . 0.407 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -74.97 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 108' ' ' SER . 0.1 OUTLIER -90.58 37.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 107' ' ' SER . 1.5 t 87.71 -18.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.961 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 108' ' ' SER . . . 42.93 -167.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.138 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.3 p -105.34 154.27 20.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.9 m -103.22 141.3 36.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -48.34 -57.5 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 p -141.19 103.04 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -167.23 37.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 m -145.04 85.21 1.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 0.735 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.11 -57.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.21 87.03 1.4 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -163.43 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.798 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.3 mt -83.7 136.52 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.5 m -50.99 154.51 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.438 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -143.55 103.29 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.09 63.55 5.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -147.72 19.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.508 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 65.7 t -131.43 19.03 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.377 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.494 ' C ' ' O ' ' A' ' 14' ' ' VAL . 90.5 m-85 -30.29 141.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.43 -142.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 p -67.13 107.72 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.469 ' CG2' ' N ' ' A' ' 19' ' ' GLY . 2.7 mp -89.45 -105.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.469 ' N ' ' CG2' ' A' ' 18' ' ' ILE . . . -169.12 -39.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' GLU . 28.1 m170 -102.57 -16.38 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.54 ' CD1' HG21 ' A' ' 26' ' ' VAL . 6.2 m-85 39.48 65.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.43 173.33 49.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.85 -26.1 0.73 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -75.14 -175.62 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.787 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.08 115.44 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.54 HG21 ' CD1' ' A' ' 21' ' ' TYR . 33.1 m -94.36 155.3 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -114.03 108.02 16.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.454 HG12 ' CG2' ' A' ' 103' ' ' VAL . 39.9 mt -81.66 127.39 39.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.1 119.85 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.9 mtt180 -93.0 113.73 26.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.626 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 36.1 mt -113.11 149.79 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -96.64 120.37 36.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -122.25 118.05 27.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -62.69 170.05 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -78.88 5.29 11.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -152.4 25.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -108.32 124.13 35.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.61 29.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.11 -54.67 36.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.43 37.69 40.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.69 122.7 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.261 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -85.8 154.43 21.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.598 HG23 ' CZ ' ' A' ' 90' ' ' PHE . 13.9 m -138.61 156.39 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 13.9 mtp-105 -104.07 173.66 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.45 98.58 7.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.8 OUTLIER -87.42 164.65 16.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.557 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.3 mmm -22.77 -58.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -153.4 23.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.2 m -132.54 153.51 50.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.4 t -105.75 107.44 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.442 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.2 mp -106.99 153.01 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.433 ' CG2' ' HA ' ' A' ' 69' ' ' GLU . 31.2 mm -65.99 141.42 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.502 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 3.2 p -112.59 -42.7 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.957 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 1.2 ttt-85 -158.66 162.85 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.459 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 44.8 mm -121.85 121.36 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 t -85.87 146.59 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -78.66 150.01 32.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' CE ' ' A' ' 63' ' ' LYS . . . 74.31 3.48 65.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.53 149.76 24.99 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.74 -26.37 61.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -73.7 -55.39 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 13.0 tt0 -61.02 -54.65 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' GLU . 16.2 mttt -39.77 -63.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.2 p -64.82 -31.2 72.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.89 36.56 93.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.477 ' HB2' ' CD1' ' A' ' 31' ' ' ILE . 16.7 mt -96.23 -13.84 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.626 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.5 mm? -104.01 132.72 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -133.38 135.57 44.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.591 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.433 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 57.7 mt-10 -52.01 134.49 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.47 10.26 57.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.59 132.22 40.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.746 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 36.6 tt0 -99.41 137.66 37.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.407 ' HA ' ' HB3' ' A' ' 104' ' ' LEU . 12.5 t -103.93 142.79 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.518 ' CD2' ' O ' ' A' ' 103' ' ' VAL . 0.0 OUTLIER -126.19 -45.36 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -142.86 142.23 31.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 28.0 mt -136.74 109.0 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 70.0 18.03 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.65 -24.06 32.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 111.05 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 2.9 mp -71.59 137.22 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.348 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -73.44 144.76 46.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.439 HG21 ' CG2' ' A' ' 89' ' ' VAL . 3.1 mm -117.77 -42.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.7 122.84 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.09 -43.41 1.85 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 85' ' ' ASP . 34.6 mttm -53.82 131.37 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.9 t70 -55.56 -166.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.517 ' CG2' HG21 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -85.44 -43.87 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -40.81 84.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 3.9 mm-40 -52.98 -42.72 65.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.439 ' CG2' HG21 ' A' ' 81' ' ' ILE . 3.0 t -62.82 -46.9 95.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.598 ' CZ ' HG23 ' A' ' 43' ' ' VAL . 13.8 m-85 -61.84 -38.1 86.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.5 -27.5 67.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -69.18 -64.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.577 HD11 ' CE2' ' A' ' 102' ' ' PHE . 1.0 OUTLIER -48.08 -59.45 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.54 -47.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.14 -43.47 82.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 93' ' ' LEU . 16.0 mtm -74.95 165.32 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.1 161.98 31.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.569 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.34 -162.03 31.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.2 m -70.55 97.52 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 110.399 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -91.72 136.83 32.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 18.5 m -92.22 99.69 12.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.577 ' CE2' HD11 ' A' ' 93' ' ' LEU . 77.4 m-85 -84.82 116.72 23.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 111.052 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . 0.518 ' O ' ' CD2' ' A' ' 74' ' ' LEU . 9.4 t -106.92 100.21 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -142.46 161.96 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.451 ' CG1' ' HA ' ' A' ' 26' ' ' VAL . 3.2 mt -107.54 123.82 36.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 117.85 5.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.461 1.769 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 108' ' ' SER . 2.8 t -72.22 62.58 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 107' ' ' SER . 1.7 t 85.09 -10.21 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.78 161.21 0.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 111' ' ' SER . 18.3 Cg_endo -75.02 113.97 3.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER 78.28 138.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.92 93.02 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.09 155.89 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.015 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -167.56 150.55 6.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.68 -174.17 13.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -168.7 170.76 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -155.08 164.12 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.04 -144.75 3.98 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 97.63 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 10' ' ' THR . 71.8 mt -106.08 159.55 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 6.3 m 56.92 163.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' ARG . 1.6 m-20 -111.5 105.36 13.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.62 59.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -146.91 15.58 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 61.4 t -110.68 20.7 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.404 ' CB ' HD13 ' A' ' 18' ' ' ILE . 42.6 m-85 -45.15 170.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -100.45 -158.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -52.47 107.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.601 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -93.07 155.38 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -60.17 -61.73 6.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.135 . . . . 0.0 111.045 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -62.38 100.72 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.576 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 18' ' ' ILE . 1.3 m-30 -102.8 76.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.87 -71.59 2.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.76 -46.38 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.36 -168.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.61 122.99 18.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.518 HG22 ' CG ' ' A' ' 21' ' ' TYR . 12.7 m -106.65 152.1 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -104.53 122.62 45.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.412 ' CG2' ' CG2' ' A' ' 101' ' ' THR . 5.3 mp -95.21 132.12 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -140.51 120.52 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -96.15 110.62 22.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.606 ' CD1' ' CD2' ' A' ' 67' ' ' LEU . 78.7 mt -102.36 139.63 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . 0.428 ' N ' HG21 ' A' ' 31' ' ' ILE . 13.9 mt-10 -92.21 103.79 16.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 98' ' ' GLY . 7.9 tttt -105.18 125.23 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . -95.88 133.75 39.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -56.72 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 35' ' ' ARG . 1.4 m-20 152.69 -23.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -89.64 131.08 40.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 174.33 12.97 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 111.03 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 3.4 tp -78.62 -58.58 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 73.29 31.74 60.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -146.28 118.48 8.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -85.34 150.15 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.453 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.481 ' CG1' HD11 ' A' ' 52' ' ' ILE . 4.1 m -143.8 138.55 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.33 146.0 29.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . 0.515 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -95.28 104.99 16.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.637 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.1 mm-40 -79.67 171.44 15.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.637 ' C ' ' O ' ' A' ' 46' ' ' GLU . 6.1 mmt -11.14 -63.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 46' ' ' GLU . 66.9 m-20 -149.69 19.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' SER . . . . . 0.487 ' O ' ' N ' ' A' ' 46' ' ' GLU . 3.9 m -134.55 133.87 40.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . 0.539 HG13 ' CG2' ' A' ' 81' ' ' ILE . 1.7 p -88.78 114.92 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.506 ' N ' ' CD1' ' A' ' 51' ' ' ILE . 1.8 mp -116.96 147.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.481 HD11 ' CG1' ' A' ' 43' ' ' VAL . 44.1 mm -58.26 141.78 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.91 -47.82 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -150.09 161.47 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.451 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 49.7 mm -127.18 120.78 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' GLY . 15.1 t -90.2 150.82 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . 0.401 ' N ' HG13 ' A' ' 56' ' ' VAL . 3.3 tppt? -76.28 149.23 37.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.67 -0.6 60.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -80.77 131.71 10.66 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.44 -38.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -61.96 -54.33 43.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' GLY . 11.1 tt0 -61.1 -58.21 9.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -41.73 -65.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -59.6 -27.41 66.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 58.05 43.11 95.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . . . . . . . . . 27.6 mt -104.68 -15.19 15.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.318 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.606 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.2 mm? -105.73 131.96 52.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -133.49 136.35 45.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -49.19 122.03 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.17 -1.54 35.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.3 124.95 28.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 28.8 tt0 -91.05 131.26 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . 0.454 ' CG1' HG21 ' A' ' 81' ' ' ILE . 19.3 t -99.99 138.39 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . 0.425 HD13 ' CD1' ' A' ' 105' ' ' ILE . 9.8 mt -126.25 -43.67 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -142.58 135.95 28.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.539 ' O ' ' CB ' ' A' ' 77' ' ' ASN . 10.4 mt -122.5 102.11 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 1.6 t-20 86.23 -37.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.91 -26.09 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.2 mp -75.79 144.63 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.257 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 155.86 22.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.546 HD11 ' CG2' ' A' ' 89' ' ' VAL . 0.6 OUTLIER -134.73 -56.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -42.73 121.53 2.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.2 -30.66 9.93 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' HB2' ' O ' ' A' ' 81' ' ' ILE . 9.8 mttp -64.21 159.19 21.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . 0.413 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 20.5 t0 -85.63 158.82 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.583 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 10.4 m -53.4 -47.06 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.54 -45.65 88.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 7.1 mm-40 -61.64 -53.3 57.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.546 ' CG2' HD11 ' A' ' 81' ' ' ILE . 39.2 t -54.09 -37.12 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.583 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 15.6 m-85 -74.85 -67.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.07 -29.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.418 ' N ' ' C ' ' A' ' 90' ' ' PHE . 0.2 OUTLIER -57.38 -66.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.416 ' O ' ' O ' ' A' ' 96' ' ' MET . 83.6 mt -49.33 -46.0 46.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.72 -56.32 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -40.22 95.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.416 ' O ' ' O ' ' A' ' 93' ' ' LEU . 20.0 mtm -77.67 176.32 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 35' ' ' ARG . 1.1 p80 -177.96 177.23 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.611 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 75.52 -165.82 54.51 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.8 m -65.67 97.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.18 134.01 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.412 ' CG2' ' CG2' ' A' ' 28' ' ' ILE . 43.9 m -89.35 112.68 23.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.438 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -95.22 121.46 36.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 -179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.99 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.527 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -136.73 157.77 46.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . 0.425 ' CD1' HD13 ' A' ' 74' ' ' LEU . 3.1 mt -102.86 128.65 27.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.67 5.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.6 t -84.33 79.63 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.04 54.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.94 99.27 1.55 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.96 130.65 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.5 m -92.89 140.16 29.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.95 161.81 22.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.004 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 m -94.44 160.95 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.7 164.82 20.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -124.21 128.71 49.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -102.1 73.32 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.25 -154.13 29.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 91.28 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.9 mt -92.12 138.73 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' THR . . . . . 0.572 ' HB ' ' CE2' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -76.28 -168.12 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.36 -142.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' GLU . . . . . 0.462 ' C ' ' CG ' ' A' ' 13' ' ' ARG . 4.5 tt0 -146.74 99.63 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' CG ' ' C ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 51.08 22.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . 0.442 ' O ' ' CG1' ' A' ' 14' ' ' VAL . 87.6 t -130.66 16.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.572 ' CE2' ' HB ' ' A' ' 10' ' ' THR . 85.6 m-85 -45.45 150.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' GLU . . . . . 0.428 ' O ' ' CD1' ' A' ' 18' ' ' ILE . 1.4 mp0 -84.75 -145.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.4 p -58.34 113.03 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' ILE . . . . . 0.428 ' CD1' ' O ' ' A' ' 16' ' ' GLU . 2.7 mp -104.44 141.48 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' GLY . . . . . 0.456 ' CA ' HD12 ' A' ' 28' ' ' ILE . . . -90.37 81.73 1.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -172.15 -49.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' TYR . . . . . 0.57 ' CD2' HG13 ' A' ' 26' ' ' VAL . 6.3 m-85 37.24 81.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' TYR . . . -36.84 143.85 0.14 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.26 -64.52 3.8 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.01 -176.14 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.93 121.18 20.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' VAL . . . . . 0.57 HG13 ' CD2' ' A' ' 21' ' ' TYR . 12.8 m -103.0 140.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -105.98 111.43 24.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ILE . . . . . 0.456 HD12 ' CA ' ' A' ' 19' ' ' GLY . 4.3 mp -83.78 140.54 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' VAL . . . . . 0.465 HG11 ' CD1' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -139.7 117.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -82.8 101.68 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 55.2 mt -99.19 134.37 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.71 111.57 23.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLY . 0.7 OUTLIER -116.97 144.8 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . 0.409 ' CB ' HG13 ' A' ' 37' ' ' ILE . . . -91.74 171.58 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -85.25 25.76 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -172.76 34.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ILE . . . . . 0.409 HG13 ' CB ' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -114.78 130.5 24.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.85 25.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' LEU . . . . . 0.401 HD22 ' CD1' ' A' ' 93' ' ' LEU . 6.5 tp -57.34 -56.0 27.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' GLY . . . . . 0.41 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 65.56 42.09 95.79 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.16 . . . . 0.0 111.034 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.09 121.13 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.2 m -89.86 146.85 24.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.495 HG23 ' CZ ' ' A' ' 90' ' ' PHE . 3.8 m -139.91 152.47 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' CG ' ' CB ' ' A' ' 53' ' ' SER . 33.5 mtp180 -101.84 172.3 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.94 98.27 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.0 OUTLIER -81.49 164.6 21.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' MET . . . . . 0.559 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.6 mmt -22.76 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -151.19 22.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.4 m -132.34 153.89 50.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.1 t -106.08 100.3 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . 0.423 HD11 ' N ' ' A' ' 51' ' ' ILE . 2.7 mp -99.38 151.8 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ILE . . . . . 0.452 HG22 ' N ' ' A' ' 53' ' ' SER . 13.8 mm -67.66 145.82 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' SER . . . . . 0.452 ' N ' HG22 ' A' ' 52' ' ' ILE . 1.2 p -115.4 -45.8 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -157.24 160.96 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 45.8 mm -121.88 121.92 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 13.0 t -82.36 136.74 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.33 112.69 19.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.74 -31.38 3.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.83 -178.92 10.27 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ALA . . . . . 0.437 ' O ' ' OG ' ' A' ' 64' ' ' SER . . . -73.27 -46.73 48.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.11 -49.52 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -47.14 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -39.42 -66.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' SER . . . . . 0.562 ' CB ' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -44.62 -46.2 9.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.25 12.98 26.53 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' LEU . . . . . 0.562 HD22 ' CB ' ' A' ' 64' ' ' SER . 2.1 mm? -75.72 -22.19 56.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LEU . . . . . 0.465 ' CD2' HD21 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -103.53 132.99 49.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -134.63 142.75 46.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.653 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -49.65 120.65 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.79 -2.66 25.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -83.69 135.59 34.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.312 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 35.4 tt0 -101.04 133.34 45.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' VAL . . . . . . . . . . . . . 21.9 t -91.84 136.12 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.2 mt -122.37 -47.75 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 mt-10 -149.08 144.07 26.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ILE . . . . . 0.537 HD11 ' CD2' ' A' ' 102' ' ' PHE . 33.8 mt -135.44 104.89 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.51 4.45 4.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.76 -24.59 8.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.25 139.21 20.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.84 148.05 40.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . 0.414 ' CG2' HG21 ' A' ' 89' ' ' VAL . 2.7 mm -124.24 -44.81 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 106.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.59 -26.44 9.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.57 1.169 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -64.11 -172.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -120.65 161.8 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.372 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' VAL . . . . . 0.521 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 35.5 m -54.23 -50.16 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -56.67 -47.64 79.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -58.3 -51.91 67.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.414 HG21 ' CG2' ' A' ' 81' ' ' ILE . 38.8 t -56.08 -43.74 76.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' PHE . . . . . 0.521 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 21.2 m-85 -66.17 -60.75 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.9 -33.03 22.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -58.85 -71.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' LEU . . . . . 0.496 HD21 ' CZ ' ' A' ' 102' ' ' PHE . 52.4 mt -48.52 -52.08 24.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.23 -50.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.54 -42.42 91.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 93' ' ' LEU . 20.4 mtm -76.34 167.31 22.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -165.93 166.64 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 85.27 -166.85 40.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 21.9 m -65.67 97.53 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.406 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 149.96 20.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' THR . . . . . 0.446 ' CG2' HG22 ' A' ' 28' ' ' ILE . 53.4 m -104.6 100.36 10.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' PHE . . . . . 0.537 ' CD2' HD11 ' A' ' 76' ' ' ILE . 51.2 m-85 -87.42 121.67 30.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 62.1 t -107.3 94.82 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' LEU . . . . . 0.51 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.22 164.18 28.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 16.0 mt -112.02 130.33 23.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 118.84 5.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.6 t -80.9 79.18 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -79.13 53.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.62 78.99 0.34 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.435 1.084 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 104.19 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.5 -58.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.3 m -77.16 140.83 40.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.14 123.07 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 m -107.73 149.24 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -106.61 124.62 49.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 101' ' ' THR . 5.1 mp -98.37 133.49 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.595 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -141.72 118.08 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -89.97 113.5 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.714 ' CG1' HD12 ' A' ' 66' ' ' LEU . 25.9 mt -109.65 135.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -94.19 118.9 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 98' ' ' GLY . 8.5 mtpm? -123.31 118.96 28.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.63 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -60.05 170.03 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -74.26 -0.71 17.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -147.49 33.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.63 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mm -117.8 126.47 27.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.34 37.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.714 HD22 ' CD1' ' A' ' 93' ' ' LEU . 35.1 tp -71.85 -51.15 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.79 37.01 61.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -144.52 120.76 10.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.769 . . . . 0.0 109.239 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.0 m -86.09 150.62 24.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.538 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 3.2 m -142.17 143.83 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.83 165.89 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -97.22 99.63 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.586 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.4 OUTLIER -80.9 164.71 22.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.586 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.3 mmt -19.26 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -153.58 23.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.2 m -132.99 153.52 51.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.45 HG11 HG21 ' A' ' 89' ' ' VAL . 63.1 t -101.37 97.08 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.9 mp -99.79 157.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.515 HD13 HG12 ' A' ' 43' ' ' VAL . 13.2 mm -70.31 145.65 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.99 -45.92 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -155.08 161.5 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 54' ' ' ARG . 36.9 mm -121.28 124.89 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -89.33 146.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -77.79 150.62 34.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.86 5.76 62.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.74 152.4 24.92 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.37 65.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -66.54 -57.64 6.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.62 -54.66 42.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -40.18 -67.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.6 p -58.24 -36.36 73.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.84 44.88 88.03 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.714 HD12 ' CG1' ' A' ' 31' ' ' ILE . 7.9 mt -115.47 1.17 13.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.592 ' CD2' HD21 ' A' ' 104' ' ' LEU . 8.1 mt -127.24 127.97 45.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -133.65 156.05 48.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.93 124.35 20.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.85 -11.69 22.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.695 ' CG ' HD13 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -71.3 136.42 47.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 21.8 tt0 -104.31 124.17 48.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' CG1' HG21 ' A' ' 81' ' ' ILE . 18.6 t -86.81 134.05 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -122.03 -56.15 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.2 tt0 -137.62 142.35 41.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.726 HG21 HD21 ' A' ' 93' ' ' LEU . 19.3 mt -133.93 103.12 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER 77.05 1.23 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 121.49 -25.67 6.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 3.3 mp -72.12 138.17 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.81 152.93 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.581 ' CD1' HG22 ' A' ' 89' ' ' VAL . 3.0 mm -126.55 -44.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 114.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.78 -31.52 8.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -56.97 178.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -112.42 154.9 25.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.518 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 27.0 m -49.9 -49.37 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -57.28 -47.65 80.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -56.68 -51.74 67.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.581 HG22 ' CD1' ' A' ' 81' ' ' ILE . 23.6 t -57.05 -45.6 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 20.1 m-85 -64.67 -46.63 81.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -26.79 68.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -69.66 -69.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.726 HD21 HG21 ' A' ' 76' ' ' ILE . 62.9 mt -48.47 -56.93 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.9 t -41.75 -40.78 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.95 -41.92 63.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' LEU . 20.8 mtm -77.81 162.42 26.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.18 148.36 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 103.32 -170.09 19.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -67.17 102.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -100.39 136.82 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.459 HG23 ' CG2' ' A' ' 28' ' ' ILE . 54.9 m -88.08 99.93 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.455 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.595 ' HB2' HG23 ' A' ' 29' ' ' VAL . 60.0 m-85 -87.11 116.92 25.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.51 94.8 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.695 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -134.03 161.91 33.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.8 mt -105.19 128.84 25.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.96 5.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.49 127.64 26.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.543 HG12 ' CG1' ' A' ' 105' ' ' ILE . 34.0 m -112.91 149.6 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -113.54 110.68 20.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.782 HG12 HG22 ' A' ' 103' ' ' VAL . 65.3 mt -83.17 132.06 32.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -134.02 118.63 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -88.38 108.83 19.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.784 HD11 ' HB2' ' A' ' 66' ' ' LEU . 69.2 mt -105.17 137.52 34.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -87.88 129.38 35.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.619 ' HB3' HD11 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -131.27 135.5 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -80.87 170.11 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 6.8 ttt180 -79.88 5.63 13.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -154.68 35.13 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -117.43 125.43 28.14 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.89 14.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 1.1 tp -41.3 -58.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.75 36.13 33.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.31 121.45 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -87.55 156.34 19.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.744 HG23 HG12 ' A' ' 86' ' ' VAL . 2.0 m -139.59 154.76 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.88 166.07 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -101.9 98.03 8.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.3 mm-40 -82.32 164.84 20.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.565 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.2 mmt -22.31 -58.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -152.31 23.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.5 m -132.42 153.3 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.492 ' C ' HD12 ' A' ' 51' ' ' ILE . 61.3 t -102.27 92.79 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.602 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.6 mp -97.45 154.11 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mm -63.62 150.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.6 p -121.19 -44.05 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 15.9 ttt180 -153.4 160.96 42.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 62' ' ' GLU . 28.0 mm -123.84 118.0 52.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.4 t -81.68 148.18 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.147 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -75.16 152.92 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.04 9.82 43.17 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.03 131.58 10.49 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.563 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . . . -40.76 -35.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -68.06 -57.2 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 4.7 tt0 -53.47 -57.27 11.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -39.61 -66.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.418 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 9.8 p -59.64 -28.3 67.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 59.84 19.02 48.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.784 ' HB2' HD11 ' A' ' 31' ' ' ILE . 33.2 mt -79.74 -9.54 59.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.81 ' CD2' HD21 ' A' ' 104' ' ' LEU . 4.5 mt -122.63 128.82 51.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -133.39 149.93 51.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -52.61 130.41 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.82 -15.62 31.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.792 ' CG ' HD13 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -66.05 143.27 57.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.592 ' HG2' HD21 ' A' ' 74' ' ' LEU . 23.6 tt0 -110.05 117.77 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG12 HG13 ' A' ' 81' ' ' ILE . 11.6 t -83.22 132.5 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.672 HD22 ' NH1' ' A' ' 82' ' ' ARG . 23.9 mt -124.57 -52.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -136.0 144.31 45.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG11 ' A' ' 73' ' ' VAL . 51.6 mt -140.37 102.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.52 21.82 5.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.83 -29.38 12.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.49 HG21 ' CD2' ' A' ' 92' ' ' LEU . 4.4 mp -71.04 132.77 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.73 158.6 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.531 ' CD1' HG22 ' A' ' 89' ' ' VAL . 3.0 mm -130.02 -47.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.672 ' NH1' HD22 ' A' ' 74' ' ' LEU . 2.5 ttt85 -38.15 122.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.75 -41.46 2.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -46.58 165.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -97.78 159.4 14.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.744 HG12 HG23 ' A' ' 43' ' ' VAL . 26.8 m -56.19 -51.95 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.491 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -56.6 -47.15 80.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.559 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.0 mm-40 -53.7 -50.51 65.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.358 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.531 HG22 ' CD1' ' A' ' 81' ' ' ILE . 5.5 t -59.0 -53.65 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -53.7 -40.12 65.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -67.45 -30.76 70.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -68.84 -67.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.8 mm? -42.86 -61.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.19 -56.69 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.28 -40.62 74.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.7 mtm -79.32 162.59 25.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.69 160.05 25.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.597 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 92.65 -162.08 26.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 m -69.79 97.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -91.26 137.85 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.5 m -93.49 99.39 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.442 ' HB2' HG23 ' A' ' 29' ' ' VAL . 73.6 m-85 -87.23 116.57 25.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.782 HG22 HG12 ' A' ' 28' ' ' ILE . 5.1 t -108.04 94.39 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.81 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -137.07 165.5 25.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.543 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.8 mt -107.17 127.1 28.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.85 124.75 16.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.69 ' HB ' HG12 ' A' ' 103' ' ' VAL . 3.0 m -110.12 142.53 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -98.42 119.58 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 HG23 ' A' ' 101' ' ' THR . 4.7 mp -91.89 117.5 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG12 HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -121.24 117.72 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HB3' HG22 ' A' ' 99' ' ' THR . 16.8 mtt180 -93.7 111.06 22.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.78 ' CG1' HD12 ' A' ' 66' ' ' LEU . 91.9 mt -107.34 140.99 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -96.45 118.72 33.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HB2' HD11 ' A' ' 100' ' ' LEU . 24.6 mtpt -124.5 133.78 53.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -73.69 172.29 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -82.05 19.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -166.71 31.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.459 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -116.34 127.48 26.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.52 38.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.31 -56.84 11.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 75.5 37.4 41.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -143.71 117.89 9.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -85.85 151.52 23.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.491 HG23 HG12 ' A' ' 86' ' ' VAL . 2.5 m -135.62 151.91 30.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -108.3 162.47 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -96.58 122.92 40.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.594 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.9 mm-40 -110.31 164.84 12.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.594 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.8 mmt -18.76 -58.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' GLU . 24.6 m-20 -155.54 24.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.4 m -133.38 153.62 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -104.22 97.12 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 46' ' ' GLU . 2.7 mp -96.94 158.29 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.4 mm -69.88 146.13 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 p -117.35 -43.76 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 9.8 ttt180 -154.71 161.7 41.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.417 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 45.2 mm -123.14 119.88 58.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.429 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 5.5 t -83.63 145.65 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 146.91 33.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.45 -4.17 69.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.69 152.37 44.29 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.63 -25.14 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -73.33 -53.14 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' LYS . 11.0 tt0 -57.55 -58.87 6.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 10.0 mttm -39.85 -66.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -57.54 -32.98 67.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.32 44.13 97.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.78 HD12 ' CG1' ' A' ' 31' ' ' ILE . 32.1 mt -104.77 -11.3 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.619 ' CD2' HD11 ' A' ' 31' ' ' ILE . 3.3 mm? -109.75 128.14 55.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -133.52 132.33 40.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -43.95 121.93 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.244 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.05 -9.36 25.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.605 ' CG ' HD13 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -73.47 135.41 44.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 0.737 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.6 tt0 -104.5 128.38 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.499 ' CG1' HG21 ' A' ' 81' ' ' ILE . 19.0 t -90.09 138.85 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.489 HD12 ' CG1' ' A' ' 26' ' ' VAL . 32.5 mt -125.71 -53.38 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -139.86 146.29 39.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.468 HG22 ' HE1' ' A' ' 96' ' ' MET . 55.8 mt -138.89 114.4 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.406 ' OD1' ' HA ' ' A' ' 100' ' ' LEU . 7.5 m-20 60.78 21.34 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.87 -27.05 22.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 79' ' ' ILE . 4.8 mp -70.98 136.33 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.31 153.88 40.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.575 ' CD1' HG22 ' A' ' 89' ' ' VAL . 2.0 mm -128.84 -45.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -42.21 116.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.16 -36.47 4.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' ILE . 44.8 mttm -51.19 167.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.34 160.39 14.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.544 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 21.7 m -55.04 -51.07 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.503 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -57.39 -46.89 82.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -55.04 -49.92 70.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.242 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.575 HG22 ' CD1' ' A' ' 81' ' ' ILE . 3.9 t -60.54 -55.53 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.544 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 22.6 m-85 -52.02 -46.37 64.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -33.24 75.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -64.79 -67.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.5 mm? -44.25 -60.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -38.13 -54.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.21 -44.44 88.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.468 ' HE1' HG22 ' A' ' 76' ' ' ILE . 10.7 mtm -75.78 161.98 28.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.44 155.83 22.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.596 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 97.4 -163.47 21.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.455 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.0 m -69.96 97.63 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.521 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -94.69 135.85 35.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.884 HG23 HG23 ' A' ' 28' ' ' ILE . 1.2 m -91.27 105.08 17.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.406 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 70.8 m-85 -93.02 118.84 31.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.69 HG12 ' HB ' ' A' ' 26' ' ' VAL . 3.0 t -107.09 94.57 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.605 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -134.39 157.42 46.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.0 mt -102.16 129.07 27.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 118.14 5.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.39 125.23 15.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 m -112.3 137.84 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -103.19 111.85 24.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 101' ' ' THR . 5.1 mp -82.03 130.9 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.79 121.68 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -98.1 123.91 42.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.727 HG13 HD12 ' A' ' 66' ' ' LEU . 2.7 mt -114.53 132.77 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -88.17 110.12 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HB2' HD11 ' A' ' 100' ' ' LEU . 16.8 mtpt -115.02 154.2 29.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -102.08 172.07 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HA ' ' CG ' ' A' ' 97' ' ' HIS . 26.7 mtm180 -84.75 29.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.13 33.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.441 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -122.67 126.92 25.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 145.43 31.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.8 tp -61.56 -56.27 21.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 72.43 38.39 58.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.28 117.21 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -86.94 153.81 21.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.44 146.2 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.18 164.86 11.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -97.28 122.86 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.598 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.4 mm-40 -107.46 165.35 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -18.37 -58.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.4 m-20 -156.81 24.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.401 ' HB3' HD11 ' A' ' 51' ' ' ILE . 12.8 m -134.12 153.44 51.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.956 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.718 ' C ' HD12 ' A' ' 51' ' ' ILE . 98.2 t -103.42 103.3 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.718 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.4 mp -105.58 156.61 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 55' ' ' ILE . 29.9 mm -69.56 145.51 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.15 -46.63 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' O ' HD13 ' A' ' 55' ' ' ILE . 6.0 ttt180 -148.2 163.16 37.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.48 HD13 ' O ' ' A' ' 54' ' ' ARG . 44.4 mm -126.68 119.31 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.462 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 9.6 t -84.06 148.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -79.64 149.07 31.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.86 -5.47 61.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.54 150.32 39.84 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.74 -22.52 64.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 0.782 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -73.97 -60.63 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 9.3 tt0 -48.71 -61.29 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -39.16 -69.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.02 -49.23 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.96 14.44 67.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.727 HD12 HG13 ' A' ' 31' ' ' ILE . 8.0 mt -80.37 -22.93 40.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.749 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 2.6 mm? -103.27 121.48 42.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -133.66 153.67 51.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.581 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.84 115.72 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 119.78 -6.65 12.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.25 135.04 36.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 31.6 tt0 -101.53 128.46 47.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.487 HG12 HG13 ' A' ' 81' ' ' ILE . 12.2 t -94.87 140.01 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ILE . 6.9 mt -129.42 -54.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -135.83 143.26 45.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.335 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.1 mt -136.05 106.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.75 14.57 9.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.44 -27.91 10.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.913 HG21 HD22 ' A' ' 92' ' ' LEU . 3.3 mp -71.58 130.93 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.451 ' O ' ' CE ' ' A' ' 84' ' ' LYS . 1.3 mt-10 -69.15 155.71 39.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.522 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.4 mm -128.39 -49.31 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -39.7 126.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.54 -48.83 2.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.451 ' CE ' ' O ' ' A' ' 80' ' ' GLU . 40.6 mttm -40.99 160.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 17.1 t0 -90.74 159.48 16.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 87' ' ' ASN . 31.2 m -55.74 -49.07 76.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -59.43 -46.44 88.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.602 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -52.55 -50.82 62.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.522 ' CG2' HG23 ' A' ' 81' ' ' ILE . 9.1 t -59.45 -56.75 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -50.47 -40.38 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -33.62 75.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.913 HD22 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -66.34 -66.79 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' MET . 2.5 mm? -43.14 -60.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.615 ' O ' ' CE1' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -43.28 -52.32 5.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 110.0 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -59.07 -32.82 70.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.552 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 12.2 mtm -89.49 162.4 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.615 ' CE1' ' O ' ' A' ' 94' ' ' SER . 90.4 m-70 -159.89 164.13 33.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 87.69 -163.31 33.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 35.4 m -71.81 98.93 2.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -98.39 137.94 36.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.581 HG23 HG23 ' A' ' 28' ' ' ILE . 5.4 m -90.34 107.87 19.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 41.7 m-85 -93.57 116.57 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.1 94.32 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.94 161.73 35.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.4 mt -107.6 122.57 40.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 115.74 4.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.88 124.67 28.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.752 HG12 HG12 ' A' ' 105' ' ' ILE . 4.1 m -117.87 144.71 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -104.82 116.94 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.539 ' CG2' HG23 ' A' ' 101' ' ' THR . 5.3 mp -87.27 132.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.75 118.5 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 12.1 mtt180 -97.63 125.98 42.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.964 HD11 ' HB2' ' A' ' 66' ' ' LEU . 95.1 mt -120.87 142.36 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -91.83 109.43 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.76 129.27 55.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.61 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -75.12 169.77 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -77.8 1.44 20.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.342 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.99 37.04 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.61 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -119.2 127.46 26.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 153.11 41.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 tp -67.81 -57.78 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.5 38.06 45.28 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -144.37 120.25 10.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -86.81 153.87 21.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.661 HG23 HG12 ' A' ' 86' ' ' VAL . 3.3 m -144.8 143.82 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.7 162.62 12.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -96.37 99.16 10.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.8 mm-40 -80.9 165.05 22.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.581 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.9 mmm -19.79 -59.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -155.23 24.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.429 ' HB3' HD11 ' A' ' 51' ' ' ILE . 19.1 m -133.13 153.37 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.753 ' C ' HD12 ' A' ' 51' ' ' ILE . 90.4 t -101.49 102.62 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.753 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.4 mp -107.5 153.78 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 55' ' ' ILE . 27.3 mm -68.12 144.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -44.78 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.497 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -154.37 159.16 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.514 HD11 HG21 ' A' ' 52' ' ' ILE . 32.2 mm -120.65 121.6 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -86.56 146.07 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -76.84 147.89 36.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.38 -2.87 64.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.155 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.21 148.47 31.31 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -29.37 59.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -69.11 -56.02 8.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 13.7 tt0 -61.67 -51.39 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -40.1 -67.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.5 p -64.98 -36.34 84.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 72.38 40.21 55.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.573 1.171 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.964 ' HB2' HD11 ' A' ' 31' ' ' ILE . 7.0 mt -97.7 -16.8 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.489 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.3 mm? -103.89 131.66 50.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -133.69 137.56 45.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.46 114.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.02 -3.15 16.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 14.1 m-20 -80.89 130.76 35.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 24.7 tt0 -96.3 131.8 42.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.455 HG11 HD11 ' A' ' 76' ' ' ILE . 4.6 t -99.6 133.72 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.371 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD22 ' NH1' ' A' ' 82' ' ' ARG . 23.1 mt -119.98 -52.15 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.37 151.45 49.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.87 HG21 HD21 ' A' ' 93' ' ' LEU . 46.9 mt -139.74 103.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.01 13.73 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.85 -27.45 9.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.893 HG21 HD22 ' A' ' 92' ' ' LEU . 2.7 mp -70.74 133.62 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.57 157.62 36.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.594 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.5 mm -134.15 -46.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' NH1' HD22 ' A' ' 74' ' ' LEU . 2.3 ttt85 -39.87 120.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.31 -41.22 2.61 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' ILE . 24.8 mttm -45.46 154.48 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -88.69 160.06 17.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.661 HG12 HG23 ' A' ' 43' ' ' VAL . 29.7 m -53.03 -50.58 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.463 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -56.12 -47.72 77.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.665 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -54.28 -50.42 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.594 ' CG2' HG23 ' A' ' 81' ' ' ILE . 5.1 t -59.64 -55.89 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.523 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 19.8 m-85 -51.38 -54.01 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.68 -47.74 76.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.893 HD22 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -45.58 -71.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.87 HD21 HG21 ' A' ' 76' ' ' ILE . 92.3 mt -47.66 -51.52 21.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.95 -58.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.52 -39.5 84.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.3 mtm -75.46 161.33 29.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.8 151.33 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.606 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.73 -168.86 20.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.7 m -65.71 97.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -95.48 138.73 32.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.539 HG23 ' CG2' ' A' ' 28' ' ' ILE . 23.2 m -93.82 106.76 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -92.6 117.13 29.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 t -102.31 94.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -134.49 161.07 36.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.752 HG12 HG12 ' A' ' 26' ' ' VAL . 9.8 mt -106.87 122.95 40.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.65 4.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.82 122.89 23.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.46 HG12 ' CG1' ' A' ' 105' ' ' ILE . 2.4 m -110.24 133.38 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -97.12 117.7 31.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.498 ' N ' HD12 ' A' ' 28' ' ' ILE . 5.1 mp -91.84 147.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.541 ' HB ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -152.16 118.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -88.9 113.55 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.737 HG12 HD12 ' A' ' 66' ' ' LEU . 67.6 mt -104.79 138.02 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -97.36 119.98 36.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' CG ' ' CB ' ' A' ' 60' ' ' ALA . 7.6 mtpm? -127.33 136.61 52.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -74.93 171.92 13.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 1.0 OUTLIER -80.49 38.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER 170.73 40.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.552 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -121.88 126.56 26.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.03 34.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 1.042 HD23 HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -60.74 -52.08 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.1 35.98 57.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.749 ' HB3' HD12 ' A' ' 39' ' ' LEU . . . -145.19 118.12 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -86.21 152.16 23.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.805 HG12 HD13 ' A' ' 52' ' ' ILE . 1.7 m -141.13 156.4 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 55.0 mtp180 -100.89 156.27 17.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.349 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.93 97.76 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -82.79 164.71 20.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.543 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 mmt -24.18 -58.76 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -151.18 23.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.3 m -132.68 153.59 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 73' ' ' VAL . 55.5 t -108.25 100.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.2 mp -104.01 145.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.805 HD13 HG12 ' A' ' 43' ' ' VAL . 5.3 mm -64.46 162.24 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.468 ' HB2' ' CG ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -140.31 -54.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -131.8 146.7 52.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 55' ' ' ILE . 29.9 mm -116.49 106.02 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.4 146.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -82.15 156.51 24.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.405 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . 77.82 -2.4 64.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.66 156.05 34.42 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.484 ' CB ' ' CG ' ' A' ' 33' ' ' LYS . . . -66.07 -22.34 66.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.912 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . . . -74.92 -53.18 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 3.9 tt0 -55.85 -66.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLU . 5.1 mttp -39.97 -60.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.6 p -55.16 -37.06 66.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 62.53 44.21 97.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.737 HD12 HG12 ' A' ' 31' ' ' ILE . 19.6 mt -110.34 -12.02 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.722 HD21 ' CD1' ' A' ' 31' ' ' ILE . 2.6 mm? -106.69 131.02 54.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -133.47 132.72 41.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.565 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -47.48 114.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.65 5.04 18.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD1' HD13 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -88.65 124.71 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' OE2' HD21 ' A' ' 74' ' ' LEU . 25.3 tt0 -89.59 129.15 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.681 HG12 HG13 ' A' ' 81' ' ' ILE . 18.3 t -87.28 134.59 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.754 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -126.67 -54.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -133.0 142.44 48.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.51 HG21 HD21 ' A' ' 93' ' ' LEU . 25.6 mt -135.92 102.84 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 69.95 19.08 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.22 -23.67 28.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 mp -79.53 130.27 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.45 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 2.4 tt0 -71.39 161.4 31.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.681 HG13 HG12 ' A' ' 73' ' ' VAL . 2.5 mm -126.59 -43.67 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.754 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -40.7 118.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.33 -17.47 51.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 80' ' ' GLU . 21.3 mttp -74.61 165.39 25.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -97.77 138.26 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.775 HG23 HG23 ' A' ' 43' ' ' VAL . 1.5 p -40.31 -49.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.48 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -60.07 -45.94 91.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.8 OUTLIER -52.45 -49.34 64.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.437 HG21 HG21 ' A' ' 50' ' ' VAL . 37.0 t -56.76 -48.34 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.728 ' CZ ' HG22 ' A' ' 86' ' ' VAL . 23.3 m-30 -57.25 -32.3 66.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.06 -37.35 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 95' ' ' ASP . 0.2 OUTLIER -54.81 -64.28 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 1.042 HD13 HD23 ' A' ' 39' ' ' LEU . 87.2 mt -49.77 -46.54 50.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -17.97 9.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.8 m-20 -105.8 13.66 29.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . 24.2 mtm -135.1 148.44 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.532 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 2.0 m-70 -150.31 155.1 39.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.24 -170.12 23.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 m -68.07 102.4 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 110.441 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 96' ' ' MET . 0.3 OUTLIER -100.69 141.34 33.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.423 HG23 ' CG2' ' A' ' 28' ' ' ILE . 40.1 m -93.1 101.09 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -85.0 116.85 23.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.54 94.92 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -136.74 156.54 48.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.538 ' CD1' HD11 ' A' ' 74' ' ' LEU . 5.7 mt -104.37 127.44 29.08 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.99 5.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.933 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.78 122.49 36.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.729 HG12 ' CG1' ' A' ' 105' ' ' ILE . 11.0 m -116.87 154.17 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -112.14 113.4 25.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.479 HG13 HG13 ' A' ' 103' ' ' VAL . 4.9 mp -80.11 129.44 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -132.41 117.86 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -92.98 111.52 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.62 HD12 HD11 ' A' ' 67' ' ' LEU . 75.6 mt -104.77 136.93 36.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -88.79 119.71 29.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HB3' HD11 ' A' ' 100' ' ' LEU . 2.5 tttt -125.51 146.02 49.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.792 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -93.64 169.66 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtm105 -80.67 5.02 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.03 19.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.792 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -112.03 125.12 30.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 149.03 35.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.771 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.56 -58.42 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.57 38.49 24.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.19 119.29 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -88.81 153.16 21.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.347 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.721 HG12 HD13 ' A' ' 52' ' ' ILE . 3.0 m -138.93 156.22 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -109.2 161.99 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.539 ' ND2' ' OD1' ' A' ' 85' ' ' ASP . 0.9 OUTLIER -96.7 101.35 12.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.584 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -87.85 164.71 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.584 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -20.22 -58.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -154.35 23.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.409 ' CB ' ' OE1' ' A' ' 72' ' ' GLU . 74.7 m -132.97 153.66 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.5 t -102.86 92.14 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.426 HD11 ' OE1' ' A' ' 72' ' ' GLU . 2.8 mp -94.77 145.48 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.721 HD13 HG12 ' A' ' 43' ' ' VAL . 17.4 mm -59.9 146.5 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 p -119.15 -44.26 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 10.1 ttt-85 -151.57 159.31 44.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.42 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 43.9 mm -124.32 121.7 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 t -81.87 143.28 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -78.83 138.37 38.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' LYS . . . 84.86 1.69 88.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.61 144.84 23.44 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.64 -30.54 5.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -66.74 -55.06 16.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.21 -47.87 80.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -45.05 -67.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.5 p -57.72 -48.34 79.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.6 44.34 7.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.463 ' HB2' HD11 ' A' ' 31' ' ' ILE . 17.8 mt -113.69 -6.62 13.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 0.753 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.62 HD11 HD12 ' A' ' 31' ' ' ILE . 4.4 mt -120.54 126.14 49.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -133.9 156.07 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.629 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 64.0 mt-10 -62.07 124.81 21.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.37 -5.4 28.31 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' OD1' ' HA ' ' A' ' 106' ' ' PRO . 14.1 m-20 -80.91 134.24 35.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 28.7 tt0 -100.52 132.19 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.573 HG12 HG13 ' A' ' 81' ' ' ILE . 10.2 t -99.6 141.34 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -127.52 -47.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt-10 -142.72 150.04 39.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' A' ' 81' ' ' ILE . 73.4 mt -143.41 109.93 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.66 11.64 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.75 -27.17 9.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 92' ' ' LEU . 3.0 mp -70.96 135.0 28.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.21 142.37 43.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.573 HG13 HG12 ' A' ' 73' ' ' VAL . 5.6 mm -113.03 -23.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -53.36 119.91 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . 87.05 -42.81 3.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' GLY . 29.1 mttm -40.05 118.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.539 ' OD1' ' ND2' ' A' ' 45' ' ' ASN . 49.9 t0 -55.03 172.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.54 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 15.6 m -66.0 -44.61 92.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -61.01 -47.75 84.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -50.34 -51.4 45.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.56 ' CG2' HG23 ' A' ' 81' ' ' ILE . 7.2 t -60.93 -56.03 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 19.6 m-30 -50.62 -51.1 51.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -34.08 74.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.573 ' CD2' HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -63.14 -69.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.4 mm? -43.93 -59.94 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -38.1 -53.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.012 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -59.64 -44.94 93.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 12.4 mtm -75.16 165.35 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -161.78 174.54 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 78.22 -166.71 52.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.14 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.4 m -68.3 97.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -91.32 142.91 27.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.5 m -95.74 99.63 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 60.7 m-85 -88.09 117.94 27.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.479 HG13 HG13 ' A' ' 28' ' ' ILE . 4.3 t -106.1 94.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.602 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -137.15 160.92 37.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.729 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.2 mt -104.49 124.16 38.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.457 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -75.03 115.89 4.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.07 122.82 17.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.626 HG12 ' CG1' ' A' ' 105' ' ' ILE . 5.6 m -107.43 138.42 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -99.82 115.49 29.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 28' ' ' ILE . 4.6 mp -86.26 146.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -150.68 118.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 7.5 mtt180 -91.23 108.06 19.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.607 ' CG1' HD12 ' A' ' 66' ' ' LEU . 81.2 mt -101.46 137.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -90.15 119.64 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.697 ' HZ3' ' N ' ' A' ' 39' ' ' LEU . 2.8 mtpp -119.96 125.34 48.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -70.58 172.6 8.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -81.06 20.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 34' ' ' ALA . 1.7 t0 -174.18 34.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.537 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -119.45 123.32 28.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.507 ' C ' ' NZ ' ' A' ' 33' ' ' LYS . 18.3 Cg_endo -75.0 157.86 42.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.889 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -64.91 -58.28 6.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.37 35.23 26.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.693 ' HB3' HD12 ' A' ' 39' ' ' LEU . . . -143.4 122.71 13.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.767 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -85.41 150.64 24.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.749 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -139.6 148.69 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.59 158.6 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -95.2 124.04 39.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.587 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -107.04 165.06 11.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.587 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.9 mmm -19.66 -57.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.4 m-20 -153.23 22.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.4 m -133.3 153.53 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.67 100.94 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp -102.15 154.04 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.662 HD13 HG12 ' A' ' 43' ' ' VAL . 3.9 mm -68.59 149.32 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.82 -46.88 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 4.7 ttt180 -150.05 162.95 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.503 HD13 ' HB1' ' A' ' 41' ' ' ALA . 13.2 mm -127.32 120.18 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 t -82.62 147.18 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -91.91 134.99 34.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.09 -9.25 56.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.65 -174.14 41.43 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.82 -40.68 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.786 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . . . -59.67 -55.14 38.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -48.09 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 3.5 mttt -38.14 -65.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.9 p -45.45 -44.02 11.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.99 33.56 84.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.607 HD12 ' CG1' ' A' ' 31' ' ' ILE . 9.9 mt -105.58 -1.47 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.758 ' CD2' HD21 ' A' ' 104' ' ' LEU . 4.5 mt -127.35 129.69 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.76 153.58 51.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.545 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 31.3 mt-10 -60.25 130.36 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.55 -3.5 36.86 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' OD1' ' HA ' ' A' ' 106' ' ' PRO . 18.9 m-20 -84.22 128.48 34.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.3 tt0 -92.32 130.4 38.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.592 HG12 HG13 ' A' ' 81' ' ' ILE . 19.9 t -90.87 138.79 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.819 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -126.68 -55.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.3 mt-10 -134.92 144.76 47.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.765 HG21 HD21 ' A' ' 93' ' ' LEU . 41.3 mt -137.81 106.92 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.6 ' OD1' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER 69.87 9.52 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.75 -27.2 8.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.411 HG21 ' CD2' ' A' ' 92' ' ' LEU . 3.1 mp -71.1 138.62 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.45 156.44 36.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.592 HG13 HG12 ' A' ' 73' ' ' VAL . 3.5 mm -126.61 -45.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.819 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -39.34 115.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.35 -43.46 1.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.8 mttm -44.89 133.9 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -58.83 141.2 53.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.749 HG23 HG23 ' A' ' 43' ' ' VAL . 7.4 p -47.66 -31.87 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.473 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -76.23 -43.28 42.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.666 ' O ' HD12 ' A' ' 92' ' ' LEU . 1.6 mm-40 -49.29 -43.05 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.525 ' CG2' HG23 ' A' ' 81' ' ' ILE . 47.9 t -63.15 -53.61 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.657 ' CE1' HG22 ' A' ' 43' ' ' VAL . 22.9 m-30 -46.51 -54.32 9.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' LEU . 1.2 t0 -58.54 -53.38 59.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -39.51 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.765 HD21 HG21 ' A' ' 76' ' ' ILE . 70.6 mt -50.67 -42.37 56.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -16.16 19.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -114.78 23.23 12.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.528 ' HE3' HD23 ' A' ' 93' ' ' LEU . 19.7 mtm -134.74 147.05 49.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.45 155.02 41.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.93 -177.84 31.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -66.26 108.63 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -102.53 143.66 31.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.442 HG23 ' CG2' ' A' ' 28' ' ' ILE . 13.0 m -95.55 101.78 13.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.646 ' HB2' HG23 ' A' ' 29' ' ' VAL . 44.1 m-85 -83.97 118.39 23.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.77 94.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.758 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -139.52 159.85 41.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.626 ' CG1' HG12 ' A' ' 26' ' ' VAL . 2.4 mt -107.42 129.97 23.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.454 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.95 119.53 5.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.91 122.25 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.97 137.2 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -102.65 110.7 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.533 HG23 HG23 ' A' ' 101' ' ' THR . 4.6 mp -81.6 124.06 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -126.83 119.34 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -94.52 116.35 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.578 HD12 HD11 ' A' ' 67' ' ' LEU . 76.1 mt -108.02 136.11 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -93.14 114.82 27.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' HB2' HD11 ' A' ' 100' ' ' LEU . 7.9 mtpm? -121.27 130.33 53.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -72.93 172.24 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -81.53 17.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -163.68 31.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -117.45 129.41 25.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.63 42.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.4 HD22 HD12 ' A' ' 93' ' ' LEU . 25.8 tp -66.24 -58.76 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 75.55 36.74 42.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.097 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.22 116.88 8.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -85.65 158.18 20.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.682 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 3.5 m -148.01 146.48 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.26 163.18 12.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 98.35 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.579 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.1 mm-40 -81.26 164.85 21.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.579 ' C ' ' O ' ' A' ' 46' ' ' GLU . 4.4 mmm -20.07 -58.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -155.06 24.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.8 m -132.8 153.06 51.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.503 ' C ' HD12 ' A' ' 51' ' ' ILE . 79.1 t -103.0 98.44 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.0 mp -102.64 151.61 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.09 143.65 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.55 -45.66 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.44 ' O ' HD13 ' A' ' 55' ' ' ILE . 3.1 ttt-85 -153.2 160.59 42.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 54' ' ' ARG . 40.6 mm -122.38 120.61 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.42 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 11.5 t -84.67 144.64 9.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -82.62 137.84 34.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 57' ' ' LYS . . . 91.91 3.62 67.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.89 164.76 32.78 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.39 -20.77 63.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 67' ' ' LEU . . . -75.22 -51.39 13.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.12 -64.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.89 -64.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -54.89 -49.63 70.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.84 46.63 16.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.562 HD12 ' CG1' ' A' ' 31' ' ' ILE . 17.4 mt -115.07 -8.38 12.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD11 HD12 ' A' ' 31' ' ' ILE . 1.8 mt -120.93 125.67 48.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -134.39 156.99 47.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.623 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -62.1 114.04 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.05 -10.59 8.81 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 31.7 m-20 -77.33 134.69 38.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.577 ' OE1' HD11 ' A' ' 51' ' ' ILE . 20.1 tt0 -101.61 133.7 45.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.617 HG12 HG13 ' A' ' 81' ' ' ILE . 30.8 t -98.72 140.9 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 105' ' ' ILE . 0.7 OUTLIER -129.28 -51.3 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -137.87 144.56 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.711 HG21 HD21 ' A' ' 93' ' ' LEU . 49.8 mt -135.52 107.14 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 64.58 13.59 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.68 -24.01 14.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.774 HG21 HD22 ' A' ' 92' ' ' LEU . 3.0 mp -72.38 133.25 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.31 151.23 41.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.617 HG13 HG12 ' A' ' 73' ' ' VAL . 4.0 mm -123.35 -42.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.31 114.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . 96.84 -45.57 1.81 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.0 mttm -40.32 135.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 10.0 t70 -68.92 159.5 32.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.495 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 19.0 m -55.53 -41.98 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.67 -47.75 79.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -49.31 -51.89 31.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 81' ' ' ILE . 55.6 t -58.67 -58.46 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.682 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 20.3 m-85 -49.4 -52.22 29.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -42.43 92.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.774 HD22 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -51.26 -71.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.711 HD21 HG21 ' A' ' 76' ' ' ILE . 88.4 mt -45.92 -51.08 13.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.11 -57.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.954 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.79 -39.03 87.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.574 ' HE2' HD23 ' A' ' 93' ' ' LEU . 14.1 mtm -75.25 160.8 29.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.81 149.44 14.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 101.25 -168.18 19.78 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.7 m -67.16 97.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.431 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -94.21 138.64 32.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.533 HG23 HG23 ' A' ' 28' ' ' ILE . 5.1 m -90.97 99.94 12.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 74.4 m-85 -89.13 118.35 28.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.9 t -102.2 94.74 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.7 160.34 39.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.479 ' CD1' HD11 ' A' ' 74' ' ' LEU . 3.2 mt -108.86 127.2 27.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.406 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 18.2 Cg_endo -75.02 118.77 5.38 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.9 124.3 19.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.6 m -107.77 161.32 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -120.23 118.96 31.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.646 HG23 HG23 ' A' ' 101' ' ' THR . 3.9 mp -95.78 110.9 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -116.99 117.86 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -94.14 119.08 32.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.972 HG13 HD12 ' A' ' 66' ' ' LEU . 64.6 mt -117.26 139.0 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -86.83 119.11 26.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.701 ' HZ1' ' HB3' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -117.64 159.33 23.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.812 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -108.46 169.84 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.436 ' HG2' ' CG ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -81.32 5.18 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.0 24.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.812 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -112.39 123.08 34.92 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.23 18.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.422 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 7.8 tp -46.6 -51.83 14.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.95 35.27 45.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.63 122.7 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -85.66 154.0 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -145.14 146.06 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.62 158.29 17.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -95.48 119.51 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.592 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.7 mm-40 -102.65 164.93 11.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.592 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 mmt -19.53 -57.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.6 m-20 -154.9 23.66 0.44 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.1 m -133.6 153.48 51.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.493 ' C ' HD12 ' A' ' 51' ' ' ILE . 46.4 t -106.64 105.07 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.9 mp -107.25 152.78 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.5 mm -67.37 148.55 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -49.48 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.953 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 13.8 ttp-105 -148.21 159.38 44.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.688 HG22 ' OE1' ' A' ' 62' ' ' GLU . 37.3 mm -122.42 114.89 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 t -80.74 147.46 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -78.46 155.91 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.421 ' HA2' ' CE ' ' A' ' 63' ' ' LYS . . . 65.27 9.78 44.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.61 143.48 19.22 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.701 ' HB3' ' HZ1' ' A' ' 33' ' ' LYS . . . -53.05 -26.25 15.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -78.95 -44.5 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.688 ' OE1' HG22 ' A' ' 55' ' ' ILE . 4.6 tt0 -70.72 -52.77 18.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.421 ' CE ' ' HA2' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -39.16 -62.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.7 p -62.43 -44.09 97.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.422 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 78.83 38.18 24.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.155 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.972 HD12 HG13 ' A' ' 31' ' ' ILE . 7.2 mt -98.9 -12.87 20.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 0.742 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.502 HD11 HD21 ' A' ' 104' ' ' LEU . 3.7 mm? -105.02 130.6 53.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -133.54 129.6 37.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -45.75 126.39 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.16 1.79 35.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.539 1.149 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.456 ' OD1' HD13 ' A' ' 104' ' ' LEU . 1.1 m-20 -86.76 129.2 34.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.0 tt0 -94.88 128.68 41.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.601 HG12 HG13 ' A' ' 81' ' ' ILE . 39.4 t -88.87 137.75 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.662 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -124.98 -49.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.74 145.78 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.547 HD12 HD11 ' A' ' 81' ' ' ILE . 77.4 mt -138.42 109.4 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 68.07 12.89 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.05 -27.93 10.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.7 137.47 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.453 ' O ' ' CE ' ' A' ' 84' ' ' LYS . 4.6 tt0 -76.23 148.51 37.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.611 ' CD1' HG22 ' A' ' 89' ' ' VAL . 3.5 mm -116.64 -43.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.662 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -38.23 114.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.14 -44.58 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 80' ' ' GLU . 22.7 mttm -42.66 141.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . 9.9 t0 -70.97 140.53 50.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 43' ' ' VAL . 7.9 p -43.96 -34.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.42 -42.62 53.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -50.92 -45.44 60.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.611 HG22 ' CD1' ' A' ' 81' ' ' ILE . 37.2 t -60.5 -50.01 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.68 ' CE1' HG22 ' A' ' 43' ' ' VAL . 13.5 m-30 -54.52 -48.11 72.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -30.9 71.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -67.13 -69.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.2 mm? -41.88 -60.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.49 -52.33 1.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -44.03 97.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.5 mtm -74.09 164.21 26.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 35' ' ' ARG . 1.5 p80 -164.2 159.83 20.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.63 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.39 -164.17 28.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.7 m -68.48 97.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -92.15 141.14 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.646 HG23 HG23 ' A' ' 28' ' ' ILE . 4.8 m -96.7 103.12 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 77.2 m-85 -92.65 119.98 32.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.567 HG13 HG13 ' A' ' 28' ' ' ILE . 4.8 t -111.35 94.84 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.502 HD21 HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -131.79 163.82 27.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.412 HG13 HD11 ' A' ' 74' ' ' LEU . 11.3 mt -108.3 128.83 24.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.38 5.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.967 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.7 126.22 18.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.539 HG12 ' CG1' ' A' ' 105' ' ' ILE . 2.2 m -109.7 136.5 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.98 114.27 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.626 HG23 HG22 ' A' ' 101' ' ' THR . 4.9 mp -87.66 146.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.67 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -147.86 119.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -99.09 115.81 29.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.816 HG13 HD12 ' A' ' 66' ' ' LEU . 70.1 mt -113.9 134.05 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -83.07 106.49 14.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.542 ' HZ2' ' HB2' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -108.23 159.32 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.55 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -110.69 169.87 8.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG2' ' CG ' ' A' ' 97' ' ' HIS . 4.9 mtm180 -82.53 7.94 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -147.37 21.63 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -113.78 130.18 24.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.84 38.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.542 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 27.1 tp -76.72 -57.83 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 73.37 39.61 50.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.54 119.12 9.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.6 m -85.67 147.78 26.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.832 HG23 HG23 ' A' ' 86' ' ' VAL . 1.5 m -140.94 150.09 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.512 ' CG ' ' CB ' ' A' ' 53' ' ' SER . 36.7 mtp180 -104.85 152.19 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -96.29 110.07 22.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.636 ' HB2' HD13 ' A' ' 51' ' ' ILE . 2.2 mm-40 -92.41 164.5 13.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.591 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.0 mmt -20.15 -56.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.6 m-20 -155.07 23.29 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.7 m -132.88 153.76 51.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.823 ' C ' HD12 ' A' ' 51' ' ' ILE . 3.3 t -104.04 112.75 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.823 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.6 mp -115.52 134.23 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.519 HD13 HG12 ' A' ' 43' ' ' VAL . 22.1 mm -56.97 147.19 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.512 ' CB ' ' CG ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -115.23 -52.31 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -149.12 163.82 36.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 37.3 mm -122.4 119.49 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.455 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 10.7 t -86.55 151.99 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.99 153.75 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.37 -0.36 69.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.9 148.12 19.68 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' CB ' ' HG3' ' A' ' 33' ' ' LYS . . . -53.89 -27.97 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -69.96 -57.29 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HB2' HG22 ' A' ' 55' ' ' ILE . 6.0 tt0 -63.65 -50.06 70.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -40.09 -65.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.412 ' OG ' ' CD1' ' A' ' 31' ' ' ILE . 66.0 p -69.15 -34.97 75.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.69 42.24 62.67 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.816 HD12 HG13 ' A' ' 31' ' ' ILE . 11.2 mt -100.52 -11.84 19.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.726 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.438 HD11 HD21 ' A' ' 104' ' ' LEU . 3.9 mm? -103.99 131.96 50.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -133.4 135.55 44.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.622 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 46.2 mt-10 -51.72 129.2 25.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.47 -8.78 44.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.544 ' HB3' HD13 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -73.14 131.56 42.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 74' ' ' LEU . 33.0 tt0 -105.53 100.34 9.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CA ' ' HB3' ' A' ' 104' ' ' LEU . 1.7 p -77.69 128.16 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.55 HD21 ' HG2' ' A' ' 72' ' ' GLU . 8.5 mt -114.53 -29.6 6.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.5 tt0 -140.16 141.89 36.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.917 HD12 HD11 ' A' ' 81' ' ' ILE . 10.4 mt -134.55 103.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 70.42 10.58 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.19 -25.82 8.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 3.5 mp -77.57 128.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.427 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 1.4 tt0 -64.57 168.96 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.917 HD11 HD12 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -135.68 -46.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -36.51 121.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . 98.53 -22.69 39.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' NZ ' ' O ' ' A' ' 80' ' ' GLU . 1.7 mttp -67.04 156.45 36.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -92.11 149.84 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.845 HG22 ' CE2' ' A' ' 90' ' ' PHE . 3.7 p -51.21 -38.62 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -45.53 72.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.51 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -55.26 -56.27 21.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.604 HG22 HD13 ' A' ' 81' ' ' ILE . 7.4 t -49.89 -53.64 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.845 ' CE2' HG22 ' A' ' 86' ' ' VAL . 14.9 m-85 -52.44 -48.0 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -42.82 93.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -50.86 -71.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.816 HD21 HD13 ' A' ' 76' ' ' ILE . 81.3 mt -43.42 -53.48 5.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.64 -59.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.5 -39.5 80.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' LEU . 10.5 mtm -76.68 165.07 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -165.5 173.91 10.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.573 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.13 -167.3 50.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.8 m -65.83 101.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.45 134.08 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.626 HG22 HG23 ' A' ' 28' ' ' ILE . 44.2 m -93.15 100.91 13.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.67 ' HB2' HG23 ' A' ' 29' ' ' VAL . 62.8 m-85 -84.88 123.91 31.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.95 94.37 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.544 HD13 ' HB3' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -133.0 156.37 47.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.539 ' CG1' HG12 ' A' ' 26' ' ' VAL . 5.2 mt -104.01 126.44 31.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 111.56 3.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 24' ' ' GLU . . . . . 0.66 ' OE2' HG13 ' A' ' 26' ' ' VAL . 1.9 pt-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.29 121.85 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.66 HG13 ' OE2' ' A' ' 24' ' ' GLU . 1.7 m -110.18 136.24 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.63 111.96 24.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.844 HG12 HG22 ' A' ' 103' ' ' VAL . 86.6 mt -88.55 152.67 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -149.3 118.63 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -89.58 104.5 17.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.66 HG12 HD12 ' A' ' 66' ' ' LEU . 73.8 mt -99.45 138.06 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -91.71 107.0 18.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HB3' HD11 ' A' ' 100' ' ' LEU . 6.6 tttt -110.23 160.12 16.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -118.82 169.83 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -82.9 10.54 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -148.96 25.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.15 127.71 26.52 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.02 27.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.407 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 53.8 tp -56.42 -57.55 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 70.05 35.55 71.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.81 120.21 9.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.418 ' HB ' ' OG ' ' A' ' 53' ' ' SER . 3.8 m -85.36 151.57 23.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -140.43 149.67 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 45.0 mtp180 -105.16 149.11 26.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -100.45 110.55 22.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.599 ' O ' ' C ' ' A' ' 47' ' ' MET . 42.2 mm-40 -97.41 165.16 12.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.599 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -18.61 -58.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' GLU . 9.5 m-20 -155.97 25.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 11.2 m -131.12 154.4 48.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.866 ' O ' HD13 ' A' ' 51' ' ' ILE . 16.6 t -107.33 118.53 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.866 HD13 ' O ' ' A' ' 50' ' ' VAL . 7.3 mm -124.0 132.14 71.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.0 mm -56.81 141.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.495 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -107.31 -53.74 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.006 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.7 ttt180 -149.32 163.42 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.494 HG22 ' HB2' ' A' ' 62' ' ' GLU . 49.4 mm -124.04 119.33 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' GLY . 11.0 t -85.01 147.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -78.02 146.66 35.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.09 -9.39 60.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 61' ' ' ALA . . . -79.29 133.75 12.9 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLY . . . -39.78 -30.5 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -65.85 -60.1 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.494 ' HB2' HG22 ' A' ' 55' ' ' ILE . 4.8 tt0 -60.14 -55.58 32.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -40.72 -62.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.411 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 81.8 p -64.99 -25.16 67.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 57.39 37.81 83.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 31' ' ' ILE . 9.6 mt -109.57 11.62 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.42 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 18.7 mt -138.31 123.15 18.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.26 156.66 48.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -61.68 130.09 44.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.13 -13.03 34.08 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.58 ' CG ' HD13 ' A' ' 104' ' ' LEU . 1.6 m-20 -72.21 123.12 22.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.749 ' HB2' HD12 ' A' ' 51' ' ' ILE . 43.8 tt0 -100.08 99.37 10.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.813 HG13 HG21 ' A' ' 81' ' ' ILE . 2.2 p -77.87 132.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.508 HD22 ' CZ ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -115.92 -33.36 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.237 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.9 mt-10 -140.51 145.75 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.696 HD12 HD11 ' A' ' 81' ' ' ILE . 9.8 mt -135.92 110.85 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 59.91 15.1 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.18 -28.93 8.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.581 HG21 HD22 ' A' ' 92' ' ' LEU . 3.8 mp -69.86 134.05 30.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.85 167.4 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.932 HD13 HG22 ' A' ' 89' ' ' VAL . 1.1 mm -137.03 -49.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.508 ' CZ ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -38.29 114.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . 101.25 -43.34 1.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' ILE . 15.6 mttm -42.28 130.18 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 88' ' ' GLU . 28.5 t70 -70.68 150.67 45.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.71 HG23 HG23 ' A' ' 43' ' ' VAL . 4.0 p -43.07 -37.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -44.2 65.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.575 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -52.41 -55.79 19.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.932 HG22 HD13 ' A' ' 81' ' ' ILE . 2.9 t -54.38 -44.27 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.607 ' CZ ' HG22 ' A' ' 86' ' ' VAL . 13.8 m-30 -63.59 -68.33 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.62 -25.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.581 HD22 HG21 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -70.08 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.617 HD21 HD13 ' A' ' 76' ' ' ILE . 60.9 mt -45.83 -53.61 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.0 t -39.06 -57.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -38.78 83.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' LEU . 11.1 mtm -77.91 166.51 22.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -168.57 164.11 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.67 -164.63 33.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.3 m -66.28 99.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 110.452 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -99.77 137.77 37.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.787 HG23 ' CG2' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -93.38 103.29 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.468 ' HB3' HD21 ' A' ' 104' ' ' LEU . 17.3 m-85 -87.13 116.77 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.844 HG22 HG12 ' A' ' 28' ' ' ILE . 46.8 t -102.76 94.01 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.58 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -134.26 158.49 43.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 32.1 mt -104.3 125.62 33.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 113.07 3.71 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.69 121.1 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.17 139.95 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -98.97 108.8 21.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.411 HG23 ' CG2' ' A' ' 101' ' ' THR . 4.3 mp -80.35 117.31 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -119.29 121.09 65.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 43.0 mtt180 -103.3 120.15 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.951 HG13 HD12 ' A' ' 66' ' ' LEU . 97.3 mt -117.47 143.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -94.78 95.11 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.616 ' HB3' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -101.21 105.18 16.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -61.25 159.46 12.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HD2' ' CD2' ' A' ' 97' ' ' HIS . 27.1 ttt180 -70.5 -5.76 31.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -126.49 10.29 7.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mm -104.24 129.05 25.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.56 36.93 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.49 ' CD2' HD12 ' A' ' 93' ' ' LEU . 2.6 tp -79.74 -56.83 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 65.4 39.49 95.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.29 115.56 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.7 m -85.75 153.92 21.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -146.73 146.68 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 171.61 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.46 107.24 17.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.623 ' HB2' HD13 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -88.24 164.75 15.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.605 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.9 mmm -18.2 -60.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.5 m-20 -151.41 21.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.1 m -132.77 153.87 50.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.813 ' C ' HD12 ' A' ' 51' ' ' ILE . 3.4 t -105.85 113.08 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.813 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.7 mp -114.67 153.07 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.73 143.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -42.31 3.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.493 ' O ' HD13 ' A' ' 55' ' ' ILE . 5.7 ttt180 -157.56 161.44 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 54' ' ' ARG . 36.1 mm -123.74 117.58 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 17.8 t -86.27 134.14 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -70.74 146.44 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' HE3' ' A' ' 57' ' ' LYS . . . 91.18 -6.78 81.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.22 164.55 38.57 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.91 85.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -48.45 -55.53 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 5.3 tt0 -57.17 -62.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 4.0 mttt -39.93 -68.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.53 -53.88 40.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 86.19 44.89 5.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.951 HD12 HG13 ' A' ' 31' ' ' ILE . 15.7 mt -112.06 -17.07 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.702 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 3.2 mm? -103.42 122.6 45.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -133.72 135.77 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -47.08 119.65 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.88 -13.04 17.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 2.3 m-20 -71.82 133.12 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 25.6 tt0 -101.75 124.3 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.606 ' CG1' HG21 ' A' ' 81' ' ' ILE . 3.5 t -91.61 116.47 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.452 HD22 ' NE ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -99.38 -56.97 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -137.09 151.85 49.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.655 HD12 ' CD1' ' A' ' 81' ' ' ILE . 50.8 mt -137.92 109.01 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.24 10.48 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.05 -28.04 8.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mp -73.4 141.35 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . 0.483 ' CB ' ' HE2' ' A' ' 84' ' ' LYS . 2.0 mt-10 -69.49 158.86 34.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.655 ' CD1' HD12 ' A' ' 76' ' ' ILE . 4.5 mm -135.99 -43.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 81' ' ' ILE . 2.4 mtt180 -35.12 -93.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -42.23 -34.52 1.56 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' A' ' 80' ' ' GLU . 15.1 mttm -57.48 133.48 55.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 9.1 t70 -74.84 168.51 19.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 87' ' ' ASN . 16.4 m -60.33 -48.59 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.461 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -57.6 -47.86 81.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.811 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -57.16 -31.61 65.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.509 HG22 HD13 ' A' ' 81' ' ' ILE . 19.7 t -77.97 -52.71 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -53.05 -32.47 47.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -35.18 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.811 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -61.07 -70.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.49 HD12 ' CD2' ' A' ' 39' ' ' LEU . 84.6 mt -43.97 -49.55 8.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.44 -57.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -36.46 83.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.4 mtm -76.39 165.85 24.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -168.35 -178.63 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.567 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.4 -163.12 53.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 m -69.64 100.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -96.21 132.8 41.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.411 ' CG2' HG23 ' A' ' 28' ' ' ILE . 94.2 m -88.37 102.45 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 67.0 m-85 -90.52 117.21 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.1 t -101.62 94.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.46 171.49 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.0 mt -122.16 125.99 26.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.5 121.78 20.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG12 ' CG1' ' A' ' 105' ' ' ILE . 12.6 m -105.23 139.48 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -107.25 114.86 29.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.674 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.6 mp -83.46 153.5 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.494 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -153.62 117.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -92.22 125.54 36.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.756 HG13 HD12 ' A' ' 66' ' ' LEU . 73.3 mt -121.06 134.87 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.82 113.98 26.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HZ2' HD13 ' A' ' 39' ' ' LEU . 3.3 mtpt -120.65 131.16 54.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.411 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -74.76 171.52 13.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -80.57 9.97 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.69 29.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -117.42 129.07 25.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.47 29.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.445 1.761 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.559 HD13 ' HZ2' ' A' ' 33' ' ' LYS . 37.7 tp -81.99 -46.49 13.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 63.99 40.01 97.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.26 120.29 10.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 0.722 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.3 m -86.0 147.22 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.907 HG12 HD13 ' A' ' 52' ' ' ILE . 27.5 m -136.56 153.38 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 55.8 mtp180 -101.68 173.35 6.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.835 ' OD1' HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -117.31 98.91 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.582 ' O ' ' C ' ' A' ' 47' ' ' MET . 4.4 mm-40 -84.94 165.07 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.582 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mmt -20.67 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -153.87 23.98 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.7 m -130.51 154.36 47.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.64 ' C ' HD12 ' A' ' 51' ' ' ILE . 20.6 t -106.47 113.25 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.0 mp -116.44 145.72 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.907 HD13 HG12 ' A' ' 43' ' ' VAL . 26.3 mm -64.27 143.09 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.47 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -112.61 -48.5 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.4 ttt180 -151.51 163.17 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 41.3 mm -121.78 118.59 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 11.5 t -82.95 140.72 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 128.59 33.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.97 -14.72 37.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.27 165.26 53.47 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' HG3' ' A' ' 33' ' ' LYS . . . -73.38 -28.29 61.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.779 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -67.05 -46.42 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 5.0 tt0 -58.61 -68.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -39.8 -56.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.405 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 32.6 p -60.37 -38.91 85.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 63.51 39.24 97.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.756 HD12 HG13 ' A' ' 31' ' ' ILE . 11.7 mt -102.04 -16.41 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.4 mm? -104.45 130.39 52.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -133.53 134.45 43.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -47.02 115.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.86 -6.15 18.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.68 121.7 23.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 57.2 tt0 -94.28 126.43 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.608 ' CG1' HG12 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -103.05 138.02 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 mt -121.44 -42.35 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.4 mt-10 -134.97 143.29 46.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.709 HD12 HD11 ' A' ' 81' ' ' ILE . 5.2 mt -133.74 103.98 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.24 8.49 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.9 -24.37 8.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.574 HG21 ' CD1' ' A' ' 92' ' ' LEU . 3.1 mp -70.42 128.57 33.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -77.06 117.29 18.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.709 HD11 HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -90.14 -26.34 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 105.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.06 -29.51 9.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' ILE . 1.2 mttp -56.2 138.13 50.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.784 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -78.96 170.51 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.168 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.835 HG13 ' OD1' ' A' ' 45' ' ' ASN . 27.6 m -59.92 -48.82 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.444 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -62.79 -45.19 93.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -52.17 -51.82 55.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 81' ' ' ILE . 16.0 t -58.19 -63.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 17.5 m-85 -42.18 -34.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -49.8 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.574 ' CD1' HG21 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -43.54 -71.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 96' ' ' MET . 85.2 mt -44.35 -51.32 8.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.09 -46.0 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.59 -37.32 65.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.7 mtm -79.2 170.74 16.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.71 151.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 101.01 -166.95 19.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -66.27 97.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -96.12 136.99 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.564 HG22 HG23 ' A' ' 28' ' ' ILE . 31.8 m -94.23 103.23 15.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.494 ' HB2' HG23 ' A' ' 29' ' ' VAL . 24.6 m-85 -85.31 116.4 23.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.43 93.28 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -136.88 168.61 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.478 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.2 mt -116.62 131.29 23.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 117.0 4.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.79 123.94 21.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.9 m -105.37 140.82 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -97.33 119.41 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.596 HG23 HG23 ' A' ' 101' ' ' THR . 4.6 mp -93.56 130.87 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.626 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -137.83 117.78 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -92.16 109.29 20.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.242 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.425 ' HB ' ' CE1' ' A' ' 102' ' ' PHE . 53.0 mt -102.59 135.18 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.369 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -93.23 117.75 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' GLY . 34.2 mtpt -123.93 132.09 53.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.639 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -73.89 171.45 13.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 2.7 ttt180 -81.48 38.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 171.23 40.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.639 HG13 ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -122.26 129.42 25.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.46 27.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.506 HD22 HD12 ' A' ' 93' ' ' LEU . 24.9 tp -59.63 -44.35 93.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 63.95 33.77 88.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.62 120.3 9.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.1 m -85.59 150.08 24.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.756 HG12 HD13 ' A' ' 52' ' ' ILE . 3.8 m -148.46 138.96 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -104.39 149.41 25.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 84' ' ' LYS . 23.2 t30 -95.15 105.19 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.643 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.7 mm-40 -80.98 169.21 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.643 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.2 mmt -11.54 -65.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.5 m-20 -145.82 18.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 46' ' ' GLU . 48.8 m -133.91 136.84 44.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.826 HG13 ' HB ' ' A' ' 73' ' ' VAL . 1.9 p -93.11 110.39 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.763 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.5 mp -110.29 150.25 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.756 HD13 HG12 ' A' ' 43' ' ' VAL . 28.3 mm -60.03 148.3 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.06 -46.84 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 42' ' ' THR . 2.4 ttt180 -155.29 161.71 41.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 47.1 mm -123.47 120.34 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' GLY . 13.8 t -88.17 142.9 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -75.58 149.25 38.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.43 -1.85 69.53 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.42 152.77 36.3 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.53 -34.37 72.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -61.82 -60.17 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.18 -57.65 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -40.82 -68.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.0 p -53.85 -31.62 50.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.2 43.12 99.8 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 14.3 mt -115.97 9.31 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 mt -136.07 125.81 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.21 154.29 50.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.91 126.92 29.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.71 -3.97 32.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -80.82 131.3 35.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 27.3 tt0 -96.82 130.38 44.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.826 ' HB ' HG13 ' A' ' 50' ' ' VAL . 35.0 t -101.3 140.04 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.465 HD21 ' HG2' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -128.31 -45.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.92 141.24 46.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.961 HG21 HD21 ' A' ' 93' ' ' LEU . 39.6 mt -128.97 107.62 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.458 ' OD1' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER 69.77 8.3 6.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.09 -24.56 11.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.162 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.65 126.66 32.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.06 140.94 50.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.844 HD13 HG22 ' A' ' 89' ' ' VAL . 1.1 mt -118.37 -39.33 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -31.47 110.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.12 16.87 36.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.56 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 21.7 mttm -98.09 -170.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -127.64 150.91 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.564 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 15.8 m -46.8 -53.42 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -54.25 -47.84 71.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.67 ' O ' HD12 ' A' ' 92' ' ' LEU . 1.2 mt-10 -58.98 -47.24 85.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.844 HG22 HD13 ' A' ' 81' ' ' ILE . 72.8 t -60.78 -45.63 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 20.7 m-85 -63.34 -62.54 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -29.08 6.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -63.03 -70.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.961 HD21 HG21 ' A' ' 76' ' ' ILE . 75.4 mt -48.14 -48.46 34.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.25 -57.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -38.14 86.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.654 ' HE2' HD23 ' A' ' 93' ' ' LEU . 15.2 mtm -76.27 163.8 26.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.491 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -166.51 153.74 9.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 96.69 -167.0 24.14 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.6 m -65.82 106.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.515 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -105.07 135.67 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.596 HG23 HG23 ' A' ' 28' ' ' ILE . 4.9 m -89.83 101.83 14.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.626 ' HB2' HG23 ' A' ' 29' ' ' VAL . 71.0 m-85 -89.32 122.04 32.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.8 98.03 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -137.99 167.76 21.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.13 132.89 23.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 119.02 5.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.973 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.14 122.08 26.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.807 HG12 HG12 ' A' ' 105' ' ' ILE . 0.6 OUTLIER -119.15 145.37 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -100.73 109.12 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 28' ' ' ILE . 4.2 mp -85.84 121.88 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -126.76 119.49 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -95.65 115.63 27.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.954 HG13 HD12 ' A' ' 66' ' ' LEU . 69.4 mt -115.3 138.62 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.13 133.32 44.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.595 ' HZ2' HD13 ' A' ' 39' ' ' LEU . 35.2 mtpt -134.13 146.29 50.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -75.92 171.55 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 5.2 ttt85 -81.04 30.09 0.33 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 34' ' ' ALA . 31.6 p-10 -179.57 36.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.488 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -117.03 127.25 26.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 140.25 25.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.595 HD13 ' HZ2' ' A' ' 33' ' ' LYS . 42.4 tp -59.11 -31.59 69.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.94 40.07 71.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -144.78 124.85 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -85.51 151.25 24.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.888 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -143.18 143.62 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -105.86 154.75 20.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -94.71 118.75 32.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.598 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.4 mm-40 -99.85 164.92 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mmm -19.36 -58.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' GLU . 15.2 m-20 -152.54 22.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.4 m -132.83 153.74 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.447 ' C ' HD12 ' A' ' 51' ' ' ILE . 60.5 t -107.43 104.68 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.594 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp -108.05 154.03 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.178 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.3 mm -67.84 147.74 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.69 -48.46 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 0.8 OUTLIER -150.11 162.86 39.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.415 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 42.2 mm -124.17 118.8 54.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -84.69 148.98 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.62 151.46 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.44 3.51 62.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.428 ' O ' ' CG ' ' A' ' 63' ' ' LYS . . . -84.77 150.57 25.44 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 33' ' ' LYS . . . -54.31 -45.75 72.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -53.76 -61.42 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' LYS . 10.8 tt0 -55.84 -52.18 64.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -39.31 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.4 p -57.2 -39.02 74.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.52 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 74.75 40.68 36.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.954 HD12 HG13 ' A' ' 31' ' ' ILE . 6.4 mt -104.38 -14.63 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.5 mm? -103.68 130.14 51.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -133.07 138.05 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -51.22 125.82 15.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.05 1.83 38.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.532 ' CG ' HD13 ' A' ' 104' ' ' LEU . 1.1 m-20 -84.02 128.54 34.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE1' HD11 ' A' ' 51' ' ' ILE . 24.1 tt0 -95.42 129.48 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.485 HG12 HG13 ' A' ' 81' ' ' ILE . 15.4 t -92.03 132.17 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -122.23 -46.92 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -142.92 142.23 31.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.57 HG22 ' HE1' ' A' ' 96' ' ' MET . 34.2 mt -135.61 102.17 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 1.4 t-20 85.99 -35.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.09 -25.67 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.495 ' H ' HD12 ' A' ' 79' ' ' ILE . 3.4 mp -74.8 150.19 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -81.78 148.41 28.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.491 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.6 mm -118.15 -41.47 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.25 107.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.18 -14.72 30.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -74.77 157.37 35.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.1 t0 -81.38 137.35 35.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.888 HG23 HG23 ' A' ' 43' ' ' VAL . 7.8 p -41.11 -45.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -44.39 84.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.2 mt-10 -49.01 -50.63 35.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.491 ' CG2' HG23 ' A' ' 81' ' ' ILE . 53.7 t -54.95 -51.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.657 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 14.4 m-85 -57.85 -37.14 73.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.79 -25.31 63.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -74.83 -65.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 102' ' ' PHE . 1.4 mm? -43.9 -60.46 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -38.09 -55.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.91 -42.95 90.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.57 ' HE1' HG22 ' A' ' 76' ' ' ILE . 7.4 mtm -73.43 160.66 31.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.453 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 1.9 p80 -161.44 150.09 15.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.628 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 97.51 -162.97 21.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.26 97.38 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 110.408 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -95.36 137.13 34.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -90.37 106.46 18.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 93' ' ' LEU . 58.3 m-85 -93.06 119.31 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -104.61 94.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.532 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -136.77 159.93 40.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.807 HG12 HG12 ' A' ' 26' ' ' VAL . 9.8 mt -108.96 130.17 23.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.82 5.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.2 123.19 20.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.403 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.661 HG12 ' CG1' ' A' ' 105' ' ' ILE . 6.2 m -108.21 148.22 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -108.5 115.42 30.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.53 142.31 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -147.92 122.44 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 1.4 mtt180 -97.66 112.99 24.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.682 HD11 ' HB2' ' A' ' 66' ' ' LEU . 83.3 mt -108.4 138.35 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.19 118.54 32.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 98' ' ' GLY . 8.0 mtpm? -124.32 122.86 38.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.541 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -63.63 169.69 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -75.7 0.6 17.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -144.62 28.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.541 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -115.85 126.17 27.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 162.67 36.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.3 tp -72.38 -41.4 66.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.63 38.59 93.96 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.18 117.41 8.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.794 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -86.39 152.15 22.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.679 HG12 HD13 ' A' ' 52' ' ' ILE . 4.3 m -135.21 157.17 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -109.63 158.22 18.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.72 107.04 19.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.2 mm-40 -94.11 164.83 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.572 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.9 mmm -21.21 -57.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -155.98 25.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.6 m -132.68 153.24 51.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.3 t -103.95 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.8 mp -101.56 150.12 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.679 HD13 HG12 ' A' ' 43' ' ' VAL . 13.0 mm -66.48 145.68 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 p -117.44 -50.27 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 9.2 ttt180 -142.5 161.91 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 34.8 mm -125.98 117.98 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.77 145.85 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 137.41 36.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.67 -6.16 83.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.57 141.52 26.71 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.53 -35.8 9.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -59.56 -53.39 58.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.15 -55.83 21.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -40.35 -64.93 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 p -61.63 -42.36 98.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.77 43.9 26.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.682 ' HB2' HD11 ' A' ' 31' ' ' ILE . 28.8 mt -111.04 -0.65 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.614 ' CD2' HD21 ' A' ' 104' ' ' LEU . 7.8 mt -129.76 123.75 31.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -134.59 155.67 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -58.0 112.85 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.59 40.31 0.94 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -130.81 120.18 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 23.3 tt0 -86.28 134.6 33.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.727 HG11 HD11 ' A' ' 76' ' ' ILE . 14.3 t -99.16 138.5 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.646 HD11 HD11 ' A' ' 105' ' ' ILE . 45.8 mt -121.24 -53.49 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -136.73 147.85 46.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.727 HD11 HG11 ' A' ' 73' ' ' VAL . 60.8 mt -140.91 105.69 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 69.91 9.63 7.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.63 -29.3 6.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.595 HG21 HD21 ' A' ' 92' ' ' LEU . 3.6 mp -73.92 138.45 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.05 165.31 25.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.544 HG23 ' CG2' ' A' ' 89' ' ' VAL . 4.8 mm -135.25 -46.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.25 116.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.65 -40.8 2.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -48.84 149.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 8.1 t70 -79.54 158.18 27.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.469 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 20.5 m -53.84 -46.32 63.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.12 -47.96 83.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -51.53 42.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.544 ' CG2' HG23 ' A' ' 81' ' ' ILE . 37.4 t -58.85 -55.08 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.618 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 20.3 m-85 -53.39 -43.09 67.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.71 -30.51 70.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.595 HD21 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -66.13 -68.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.5 mm? -45.54 -60.54 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 t -38.99 -47.94 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.74 -44.67 89.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 93' ' ' LEU . 15.4 mtm -76.26 165.2 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.11 151.34 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 99.62 -168.99 21.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.9 m -65.65 99.62 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 0.735 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -98.37 137.39 37.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.2 m -89.16 99.59 12.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.472 ' HB2' HG23 ' A' ' 29' ' ' VAL . 65.8 m-85 -86.69 117.59 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t -107.28 94.13 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.614 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -133.86 158.79 42.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.661 ' CG1' HG12 ' A' ' 26' ' ' VAL . 2.5 mt -107.38 132.2 21.14 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -74.97 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.08 115.44 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.919 HG12 ' CG1' ' A' ' 105' ' ' ILE . 33.1 m -94.36 155.3 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -114.03 108.02 16.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.942 HG12 HG22 ' A' ' 103' ' ' VAL . 39.9 mt -81.66 127.39 39.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.1 119.85 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HB3' HG22 ' A' ' 99' ' ' THR . 93.9 mtt180 -93.0 113.73 26.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.84 HD11 ' HB2' ' A' ' 66' ' ' LEU . 36.1 mt -113.11 149.79 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -96.64 120.37 36.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.662 ' CB ' HD11 ' A' ' 100' ' ' LEU . 4.8 tttt -122.25 118.05 27.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.657 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -62.69 170.05 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -78.88 5.29 11.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -152.4 25.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.657 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -108.32 124.13 35.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.61 29.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.11 -54.67 36.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.43 37.69 40.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.69 122.7 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -85.8 154.43 21.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.981 HG23 HG22 ' A' ' 86' ' ' VAL . 13.9 m -138.61 156.39 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 13.9 mtp-105 -104.07 173.66 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.45 98.58 7.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.8 OUTLIER -87.42 164.65 16.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.557 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.3 mmm -22.77 -58.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -153.4 23.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.2 m -132.54 153.51 50.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.4 t -105.75 107.44 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.2 mp -106.99 153.01 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.638 HD13 HG12 ' A' ' 43' ' ' VAL . 31.2 mm -65.99 141.42 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.503 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 3.2 p -112.59 -42.7 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.957 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 1.2 ttt-85 -158.66 162.85 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.459 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 44.8 mm -121.85 121.36 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 t -85.87 146.59 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -78.66 150.01 32.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' CE ' ' A' ' 63' ' ' LYS . . . 74.31 3.48 65.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.53 149.76 24.99 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.74 -26.37 61.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -73.7 -55.39 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 13.0 tt0 -61.02 -54.65 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' GLU . 16.2 mttt -39.77 -63.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.2 p -64.82 -31.2 72.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.89 36.56 93.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.84 ' HB2' HD11 ' A' ' 31' ' ' ILE . 16.7 mt -96.23 -13.84 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.626 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.5 mm? -104.01 132.72 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -133.38 135.57 44.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.591 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 57.7 mt-10 -52.01 134.49 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.47 10.26 57.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.59 132.22 40.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.746 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 36.6 tt0 -99.41 137.66 37.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.854 ' C ' HD13 ' A' ' 74' ' ' LEU . 12.5 t -103.93 142.79 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.854 HD13 ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -126.19 -45.36 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -142.86 142.23 31.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.567 HD11 HG11 ' A' ' 73' ' ' VAL . 28.0 mt -136.74 109.0 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 70.0 18.03 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.65 -24.06 32.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 111.05 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.645 HG21 ' CD2' ' A' ' 92' ' ' LEU . 2.9 mp -71.59 137.22 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -73.44 144.76 46.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.572 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.1 mm -117.77 -42.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.7 122.84 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.09 -43.41 1.85 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 85' ' ' ASP . 34.6 mttm -53.82 131.37 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.9 t70 -55.56 -166.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.981 HG22 HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -85.44 -43.87 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -40.81 84.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 92' ' ' LEU . 3.9 mm-40 -52.98 -42.72 65.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.572 ' CG2' HG23 ' A' ' 81' ' ' ILE . 3.0 t -62.82 -46.9 95.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.672 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 13.8 m-85 -61.84 -38.1 86.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.5 -27.5 67.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.645 ' CD2' HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -69.18 -64.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.0 OUTLIER -48.08 -59.45 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.54 -47.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.14 -43.47 82.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 93' ' ' LEU . 16.0 mtm -74.95 165.32 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.1 161.98 31.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.569 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.34 -162.03 31.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.2 m -70.55 97.52 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.662 HD11 ' CB ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -91.72 136.83 32.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.508 HG23 HG23 ' A' ' 28' ' ' ILE . 18.5 m -92.22 99.69 12.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -84.82 116.72 23.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.942 HG22 HG12 ' A' ' 28' ' ' ILE . 9.4 t -106.92 100.21 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -142.46 161.96 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.919 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.2 mt -107.54 123.82 36.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 117.85 5.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.461 1.769 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.981 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.61 122.99 18.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.65 HG12 ' CG1' ' A' ' 105' ' ' ILE . 12.7 m -106.65 152.1 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -104.53 122.62 45.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.589 HG23 HG22 ' A' ' 101' ' ' THR . 5.3 mp -95.21 132.12 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.552 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -140.51 120.52 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -96.15 110.62 22.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.686 ' CG1' HD12 ' A' ' 66' ' ' LEU . 78.7 mt -102.36 139.63 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -92.21 103.79 16.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 98' ' ' GLY . 7.9 tttt -105.18 125.23 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . -95.88 133.75 39.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -56.72 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 36' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 35' ' ' ARG . 1.4 m-20 152.69 -23.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -89.64 131.08 40.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 174.33 12.97 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' LEU . . . . . 0.6 HD22 HD12 ' A' ' 93' ' ' LEU . 3.4 tp -78.62 -58.58 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 73.29 31.74 60.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' ALA . . . . . 0.69 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -146.28 118.48 8.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -85.34 150.15 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.453 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.692 HG12 HD13 ' A' ' 52' ' ' ILE . 4.1 m -143.8 138.55 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.33 146.0 29.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' ASN . . . . . 0.515 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -95.28 104.99 16.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.644 ' HB2' HD13 ' A' ' 51' ' ' ILE . 1.1 mm-40 -79.67 171.44 15.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.637 ' C ' ' O ' ' A' ' 46' ' ' GLU . 6.1 mmt -11.14 -63.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 48' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 46' ' ' GLU . 66.9 m-20 -149.69 19.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 49' ' ' SER . . . . . 0.53 ' HB3' HD11 ' A' ' 51' ' ' ILE . 3.9 m -134.55 133.87 40.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . 0.832 ' C ' HD12 ' A' ' 51' ' ' ILE . 1.7 p -88.78 114.92 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.832 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.8 mp -116.96 147.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.692 HD13 HG12 ' A' ' 43' ' ' VAL . 44.1 mm -58.26 141.78 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.91 -47.82 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -150.09 161.47 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.451 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 49.7 mm -127.18 120.78 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' GLY . 15.1 t -90.2 150.82 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -76.28 149.23 37.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.67 -0.6 60.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -80.77 131.71 10.66 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.44 -38.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' ALA . . . . . 0.69 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -61.96 -54.33 43.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' GLY . 11.1 tt0 -61.1 -58.21 9.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -41.73 -65.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -59.6 -27.41 66.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 58.05 43.11 95.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.686 HD12 ' CG1' ' A' ' 31' ' ' ILE . 27.6 mt -104.68 -15.19 15.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.684 ' CD2' HD11 ' A' ' 31' ' ' ILE . 3.2 mm? -105.73 131.96 52.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -133.49 136.35 45.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -49.19 122.03 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 51' ' ' ILE . . . 107.17 -1.54 35.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 1.1 m-20 -79.3 124.95 28.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 28.8 tt0 -91.05 131.26 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.657 ' HB ' HG13 ' A' ' 50' ' ' VAL . 19.3 t -99.99 138.39 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD11 HD11 ' A' ' 105' ' ' ILE . 9.8 mt -126.25 -43.67 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -142.58 135.95 28.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.815 HG21 HD21 ' A' ' 93' ' ' LEU . 10.4 mt -122.5 102.11 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER 86.23 -37.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.91 -26.09 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.532 ' H ' HD12 ' A' ' 79' ' ' ILE . 3.2 mp -75.79 144.63 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 155.86 22.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.93 HD13 HG22 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -134.73 -56.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -42.73 121.53 2.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.2 -30.66 9.93 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' LYS . . . . . 0.556 ' HE3' HD11 ' A' ' 92' ' ' LEU . 9.8 mttp -64.21 159.19 21.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' ASP . . . . . 0.425 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 20.5 t0 -85.63 158.82 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.583 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 10.4 m -53.4 -47.06 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.54 -45.65 88.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 92' ' ' LEU . 7.1 mm-40 -61.64 -53.3 57.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.93 HG22 HD13 ' A' ' 81' ' ' ILE . 39.2 t -54.09 -37.12 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.614 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 15.6 m-85 -74.85 -67.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.07 -29.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.556 HD11 ' HE3' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -57.38 -66.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.815 HD21 HG21 ' A' ' 76' ' ' ILE . 83.6 mt -49.33 -46.0 46.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.72 -56.32 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -40.22 95.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.598 ' HE2' HD23 ' A' ' 93' ' ' LEU . 20.0 mtm -77.67 176.32 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 97' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 35' ' ' ARG . 1.1 p80 -177.96 177.23 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.611 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 75.52 -165.82 54.51 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.8 m -65.67 97.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.18 134.01 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.589 HG22 HG23 ' A' ' 28' ' ' ILE . 43.9 m -89.35 112.68 23.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.438 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.552 ' HB2' HG23 ' A' ' 29' ' ' VAL . 45.6 m-85 -95.22 121.46 36.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.99 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD21 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -136.73 157.77 46.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.65 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.1 mt -102.86 128.65 27.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.67 5.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.93 121.18 20.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' VAL . . . . . 0.607 HG12 HD12 ' A' ' 74' ' ' LEU . 12.8 m -103.0 140.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -105.98 111.43 24.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ILE . . . . . 0.606 HG23 HG23 ' A' ' 101' ' ' THR . 4.3 mp -83.78 140.54 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' VAL . . . . . 0.623 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -139.7 117.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -82.8 101.68 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.591 HG12 HD23 ' A' ' 66' ' ' LEU . 55.2 mt -99.19 134.37 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.71 111.57 23.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLY . 0.7 OUTLIER -116.97 144.8 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . 0.618 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -91.74 171.58 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -85.25 25.76 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -172.76 34.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ILE . . . . . 0.618 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -114.78 130.5 24.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.85 25.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.34 -56.0 27.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' GLY . . . . . 0.41 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 65.56 42.09 95.79 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.16 . . . . 0.0 111.034 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.09 121.13 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.2 m -89.86 146.85 24.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 HD13 ' A' ' 52' ' ' ILE . 3.8 m -139.91 152.47 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' CG ' ' CB ' ' A' ' 53' ' ' SER . 33.5 mtp180 -101.84 172.3 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -109.94 98.27 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . 0.559 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.0 OUTLIER -81.49 164.6 21.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 47' ' ' MET . . . . . 0.559 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.6 mmt -22.76 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -151.19 22.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.4 m -132.34 153.89 50.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.1 t -106.08 100.3 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 2.7 mp -99.38 151.8 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ILE . . . . . 0.572 HD13 HG12 ' A' ' 43' ' ' VAL . 13.8 mm -67.66 145.82 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' SER . . . . . 0.424 ' CB ' ' CG ' ' A' ' 44' ' ' ARG . 1.2 p -115.4 -45.8 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -157.24 160.96 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 45.8 mm -121.88 121.92 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 13.0 t -82.36 136.74 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.33 112.69 19.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.74 -31.38 3.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.83 -178.92 10.27 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' A' ' 64' ' ' SER . . . -73.27 -46.73 48.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.11 -49.52 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -47.14 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -39.42 -66.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 64' ' ' SER . . . . . 0.855 ' O ' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -44.62 -46.2 9.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.25 12.98 26.53 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' LEU . . . . . 0.855 HD22 ' O ' ' A' ' 64' ' ' SER . 2.1 mm? -75.72 -22.19 56.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LEU . . . . . 0.79 HD23 HD21 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -103.53 132.99 49.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -134.63 142.75 46.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.653 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -49.65 120.65 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.79 -2.66 25.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -83.69 135.59 34.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 35.4 tt0 -101.04 133.34 45.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 73' ' ' VAL . . . . . 0.578 ' CG1' HG21 ' A' ' 81' ' ' ILE . 21.9 t -91.84 136.12 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LEU . . . . . 0.607 HD12 HG12 ' A' ' 26' ' ' VAL . 48.2 mt -122.37 -47.75 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt-10 -149.08 144.07 26.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ILE . . . . . 0.749 HG21 HD21 ' A' ' 93' ' ' LEU . 33.8 mt -135.44 104.89 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.51 4.45 4.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.76 -24.59 8.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 3.2 mp -71.25 139.21 20.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.84 148.05 40.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . 0.578 HG21 ' CG1' ' A' ' 73' ' ' VAL . 2.7 mm -124.24 -44.81 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 106.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.59 -26.44 9.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.57 1.169 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -64.11 -172.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -120.65 161.8 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.372 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' VAL . . . . . 0.572 HG12 HG23 ' A' ' 43' ' ' VAL . 35.5 m -54.23 -50.16 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ASN . . . . . 0.473 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -56.67 -47.64 79.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 88' ' ' GLU . . . . . 0.547 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -58.3 -51.91 67.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.565 HG22 HG23 ' A' ' 81' ' ' ILE . 38.8 t -56.08 -43.74 76.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' PHE . . . . . 0.522 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 21.2 m-85 -66.17 -60.75 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.9 -33.03 22.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -58.85 -71.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 93' ' ' LEU . . . . . 0.749 HD21 HG21 ' A' ' 76' ' ' ILE . 52.4 mt -48.52 -52.08 24.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.23 -50.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.54 -42.42 91.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 93' ' ' LEU . 20.4 mtm -76.34 167.31 22.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -165.93 166.64 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 85.27 -166.85 40.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 99' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 21.9 m -65.67 97.53 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 149.96 20.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' THR . . . . . 0.606 HG23 HG23 ' A' ' 28' ' ' ILE . 53.4 m -104.6 100.36 10.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 102' ' ' PHE . . . . . 0.623 ' HB2' HG23 ' A' ' 29' ' ' VAL . 51.2 m-85 -87.42 121.67 30.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 103' ' ' VAL . . . . . 0.578 HG22 HG13 ' A' ' 28' ' ' ILE . 62.1 t -107.3 94.82 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' LEU . . . . . 0.79 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -136.22 164.18 28.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ILE . . . . . 0.409 HD11 HD11 ' A' ' 74' ' ' LEU . 16.0 mt -112.02 130.33 23.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 118.84 5.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.23 117.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.1 160.41 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.035 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.65 -120.13 4.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -147.4 -55.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m 60.4 116.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.05 -152.74 19.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.81 1.61 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 mt -87.7 136.43 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p 45.19 -167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.82 92.76 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 3.6 pt-20 -79.41 62.64 3.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.443 ' C ' ' CG2' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -154.33 70.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.321 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG2' ' C ' ' A' ' 13' ' ' ARG . 2.6 t -151.82 21.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -94.7 51.73 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 71.1 141.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -53.38 136.89 36.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.405 ' O ' ' CD1' ' A' ' 21' ' ' TYR . 5.0 mp -101.29 146.14 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -61.05 -53.07 48.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -65.63 100.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.638 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.654 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.4 m-85 -102.59 116.0 31.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 37.82 -113.93 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.56 48.33 0.95 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.35 -167.59 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.14 123.07 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 21' ' ' TYR . 2.8 m -107.73 149.24 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -106.61 124.62 49.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 101' ' ' THR . 5.1 mp -98.37 133.49 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.595 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -141.72 118.08 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -89.97 113.5 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.714 ' CG1' HD12 ' A' ' 66' ' ' LEU . 25.9 mt -109.65 135.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -94.19 118.9 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 98' ' ' GLY . 8.5 mtpm? -123.31 118.96 28.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.63 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -60.05 170.03 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -74.26 -0.71 17.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -147.49 33.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.63 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mm -117.8 126.47 27.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.34 37.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.714 HD22 ' CD1' ' A' ' 93' ' ' LEU . 35.1 tp -71.85 -51.15 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.79 37.01 61.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -144.52 120.76 10.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.769 . . . . 0.0 109.239 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.0 m -86.09 150.62 24.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.538 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 3.2 m -142.17 143.83 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.83 165.89 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 -97.22 99.63 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.586 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.4 OUTLIER -80.9 164.71 22.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.586 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.3 mmt -19.26 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -153.58 23.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.2 m -132.99 153.52 51.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.45 HG11 HG21 ' A' ' 89' ' ' VAL . 63.1 t -101.37 97.08 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.9 mp -99.79 157.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.515 HD13 HG12 ' A' ' 43' ' ' VAL . 13.2 mm -70.31 145.65 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.99 -45.92 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -155.08 161.5 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 54' ' ' ARG . 36.9 mm -121.28 124.89 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -89.33 146.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -77.79 150.62 34.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.86 5.76 62.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.74 152.4 24.92 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.37 65.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -66.54 -57.64 6.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.62 -54.66 42.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -40.18 -67.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.6 p -58.24 -36.36 73.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.84 44.88 88.03 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.714 HD12 ' CG1' ' A' ' 31' ' ' ILE . 7.9 mt -115.47 1.17 13.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.592 ' CD2' HD21 ' A' ' 104' ' ' LEU . 8.1 mt -127.24 127.97 45.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.5 m80 -133.65 156.05 48.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.93 124.35 20.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.85 -11.69 22.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.695 ' CG ' HD13 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -71.3 136.42 47.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 21.8 tt0 -104.31 124.17 48.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' CG1' HG21 ' A' ' 81' ' ' ILE . 18.6 t -86.81 134.05 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -122.03 -56.15 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.2 tt0 -137.62 142.35 41.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.726 HG21 HD21 ' A' ' 93' ' ' LEU . 19.3 mt -133.93 103.12 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER 77.05 1.23 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 121.49 -25.67 6.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 3.3 mp -72.12 138.17 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.81 152.93 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.581 ' CD1' HG22 ' A' ' 89' ' ' VAL . 3.0 mm -126.55 -44.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 114.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.78 -31.52 8.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -56.97 178.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -112.42 154.9 25.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.518 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 27.0 m -49.9 -49.37 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -57.28 -47.65 80.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -56.68 -51.74 67.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.581 HG22 ' CD1' ' A' ' 81' ' ' ILE . 23.6 t -57.05 -45.6 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 20.1 m-85 -64.67 -46.63 81.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -26.79 68.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -69.66 -69.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.726 HD21 HG21 ' A' ' 76' ' ' ILE . 62.9 mt -48.47 -56.93 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.9 t -41.75 -40.78 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.95 -41.92 63.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' LEU . 20.8 mtm -77.81 162.42 26.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.18 148.36 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 103.32 -170.09 19.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -67.17 102.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -100.39 136.82 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.459 HG23 ' CG2' ' A' ' 28' ' ' ILE . 54.9 m -88.08 99.93 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.455 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.595 ' HB2' HG23 ' A' ' 29' ' ' VAL . 60.0 m-85 -87.11 116.92 25.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.51 94.8 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.695 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -134.03 161.91 33.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.8 mt -105.19 128.84 25.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.96 5.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t -75.6 74.23 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -78.22 54.5 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.09 119.54 18.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.42 105.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.89 131.18 41.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.85 172.29 9.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.972 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.6 -63.74 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.57 -147.94 19.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.96 175.84 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -150.27 171.09 17.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.81 77.79 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -167.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -73.41 130.85 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.1 t -122.08 169.91 10.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.361 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -134.32 33.73 3.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -92.25 49.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.556 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -158.25 77.19 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 t -142.69 20.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 13' ' ' ARG . 2.0 p90 -114.74 153.13 30.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -91.92 -0.77 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.566 ' C ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -112.17 94.9 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.791 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.7 mp -102.75 146.09 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -40.96 -49.76 4.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -125.34 84.45 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.562 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.574 ' OH ' HG11 ' A' ' 103' ' ' VAL . 11.4 m-30 -38.85 144.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.49 130.25 29.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.72 -85.76 0.93 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.12 -163.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.49 127.64 26.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.552 HG11 ' CD2' ' A' ' 21' ' ' TYR . 34.0 m -112.91 149.6 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -113.54 110.68 20.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.782 HG12 HG22 ' A' ' 103' ' ' VAL . 65.3 mt -83.17 132.06 32.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -134.02 118.63 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -88.38 108.83 19.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.784 HD11 ' HB2' ' A' ' 66' ' ' LEU . 69.2 mt -105.17 137.52 34.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -87.88 129.38 35.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.619 ' HB3' HD11 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -131.27 135.5 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -80.87 170.11 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 6.8 ttt180 -79.88 5.63 13.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -154.68 35.13 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -117.43 125.43 28.14 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.89 14.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 1.1 tp -41.3 -58.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.75 36.13 33.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.31 121.45 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -87.55 156.34 19.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.744 HG23 HG12 ' A' ' 86' ' ' VAL . 2.0 m -139.59 154.76 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.88 166.07 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 2.6 m-20 -101.9 98.03 8.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.3 mm-40 -82.32 164.84 20.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.565 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.2 mmt -22.31 -58.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -152.31 23.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.5 m -132.42 153.3 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.492 ' C ' HD12 ' A' ' 51' ' ' ILE . 61.3 t -102.27 92.79 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.602 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.6 mp -97.45 154.11 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mm -63.62 150.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.6 p -121.19 -44.05 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 15.9 ttt180 -153.4 160.96 42.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 62' ' ' GLU . 28.0 mm -123.84 118.0 52.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.4 t -81.68 148.18 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.147 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -75.16 152.92 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.04 9.82 43.17 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.03 131.58 10.49 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.563 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . . . -40.76 -35.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -68.06 -57.2 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 4.7 tt0 -53.47 -57.27 11.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -39.61 -66.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.418 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 9.8 p -59.64 -28.3 67.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 59.84 19.02 48.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.784 ' HB2' HD11 ' A' ' 31' ' ' ILE . 33.2 mt -79.74 -9.54 59.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.81 ' CD2' HD21 ' A' ' 104' ' ' LEU . 4.5 mt -122.63 128.82 51.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -133.39 149.93 51.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -52.61 130.41 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.82 -15.62 31.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.792 ' CG ' HD13 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -66.05 143.27 57.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.592 ' HG2' HD21 ' A' ' 74' ' ' LEU . 23.6 tt0 -110.05 117.77 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG12 HG13 ' A' ' 81' ' ' ILE . 11.6 t -83.22 132.5 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.672 HD22 ' NH1' ' A' ' 82' ' ' ARG . 23.9 mt -124.57 -52.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -136.0 144.31 45.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG11 ' A' ' 73' ' ' VAL . 51.6 mt -140.37 102.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.52 21.82 5.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.83 -29.38 12.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.49 HG21 ' CD2' ' A' ' 92' ' ' LEU . 4.4 mp -71.04 132.77 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.73 158.6 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.531 ' CD1' HG22 ' A' ' 89' ' ' VAL . 3.0 mm -130.02 -47.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.672 ' NH1' HD22 ' A' ' 74' ' ' LEU . 2.5 ttt85 -38.15 122.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.75 -41.46 2.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -46.58 165.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -97.78 159.4 14.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.744 HG12 HG23 ' A' ' 43' ' ' VAL . 26.8 m -56.19 -51.95 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.491 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -56.6 -47.15 80.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.559 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.0 mm-40 -53.7 -50.51 65.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.358 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.531 HG22 ' CD1' ' A' ' 81' ' ' ILE . 5.5 t -59.0 -53.65 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -53.7 -40.12 65.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -67.45 -30.76 70.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -68.84 -67.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.8 mm? -42.86 -61.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.19 -56.69 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.28 -40.62 74.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.7 mtm -79.32 162.59 25.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.69 160.05 25.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.597 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 92.65 -162.08 26.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 m -69.79 97.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -91.26 137.85 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.5 m -93.49 99.39 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.442 ' HB2' HG23 ' A' ' 29' ' ' VAL . 73.6 m-85 -87.23 116.57 25.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.782 HG22 HG12 ' A' ' 28' ' ' ILE . 5.1 t -108.04 94.39 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.81 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -137.07 165.5 25.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.543 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.8 mt -107.17 127.1 28.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 t -71.47 80.15 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.27 54.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -124.42 75.49 0.39 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.43 6.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.39 102.47 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.1 t -54.44 103.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -151.37 150.75 30.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.57 85.92 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.3 -60.43 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.161 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.19 109.94 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -127.56 -66.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.17 156.58 10.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.143 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.83 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.543 1.812 . . . . 0.0 110.976 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 mt -63.0 156.77 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.1 m -150.04 161.95 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -85.68 97.82 10.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.43 56.9 2.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.89 22.49 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.492 ' O ' HG12 ' A' ' 14' ' ' VAL . 21.8 t -96.73 20.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -87.64 -164.93 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.9 -157.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 p -53.05 112.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.977 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 19' ' ' GLY . 25.5 mm -79.78 166.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 18' ' ' ILE . . . -77.76 -65.31 1.92 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.426 ' O ' ' N ' ' A' ' 22' ' ' GLY . 0.0 OUTLIER -88.53 98.7 11.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.584 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 26' ' ' VAL . 3.3 m-30 -68.66 60.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . 47.98 95.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.29 -76.51 0.58 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -172.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.85 124.75 16.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.69 ' HB ' HG12 ' A' ' 103' ' ' VAL . 3.0 m -110.12 142.53 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -98.42 119.58 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 HG23 ' A' ' 101' ' ' THR . 4.7 mp -91.89 117.5 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG12 HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -121.24 117.72 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HB3' HG22 ' A' ' 99' ' ' THR . 16.8 mtt180 -93.7 111.06 22.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.78 ' CG1' HD12 ' A' ' 66' ' ' LEU . 91.9 mt -107.34 140.99 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -96.45 118.72 33.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HB2' HD11 ' A' ' 100' ' ' LEU . 24.6 mtpt -124.5 133.78 53.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -73.69 172.29 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -82.05 19.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -166.71 31.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.459 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -116.34 127.48 26.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.52 38.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.31 -56.84 11.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 75.5 37.4 41.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -143.71 117.89 9.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -85.85 151.52 23.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.491 HG23 HG12 ' A' ' 86' ' ' VAL . 2.5 m -135.62 151.91 30.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -108.3 162.47 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -96.58 122.92 40.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.594 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.9 mm-40 -110.31 164.84 12.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.594 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.8 mmt -18.76 -58.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' GLU . 24.6 m-20 -155.54 24.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.4 m -133.38 153.62 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -104.22 97.12 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 46' ' ' GLU . 2.7 mp -96.94 158.29 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.4 mm -69.88 146.13 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 p -117.35 -43.76 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 9.8 ttt180 -154.71 161.7 41.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.417 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 45.2 mm -123.14 119.88 58.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.429 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 5.5 t -83.63 145.65 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 146.91 33.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.45 -4.17 69.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.69 152.37 44.29 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.63 -25.14 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -73.33 -53.14 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' LYS . 11.0 tt0 -57.55 -58.87 6.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 10.0 mttm -39.85 -66.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -57.54 -32.98 67.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.32 44.13 97.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.78 HD12 ' CG1' ' A' ' 31' ' ' ILE . 32.1 mt -104.77 -11.3 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.619 ' CD2' HD11 ' A' ' 31' ' ' ILE . 3.3 mm? -109.75 128.14 55.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -133.52 132.33 40.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -43.95 121.93 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.244 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.05 -9.36 25.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.605 ' CG ' HD13 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -73.47 135.41 44.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 0.737 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.6 tt0 -104.5 128.38 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.499 ' CG1' HG21 ' A' ' 81' ' ' ILE . 19.0 t -90.09 138.85 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.489 HD12 ' CG1' ' A' ' 26' ' ' VAL . 32.5 mt -125.71 -53.38 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -139.86 146.29 39.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.468 HG22 ' HE1' ' A' ' 96' ' ' MET . 55.8 mt -138.89 114.4 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.406 ' OD1' ' HA ' ' A' ' 100' ' ' LEU . 7.5 m-20 60.78 21.34 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.87 -27.05 22.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 79' ' ' ILE . 4.8 mp -70.98 136.33 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.31 153.88 40.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.575 ' CD1' HG22 ' A' ' 89' ' ' VAL . 2.0 mm -128.84 -45.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -42.21 116.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.16 -36.47 4.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' ILE . 44.8 mttm -51.19 167.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.34 160.39 14.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.544 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 21.7 m -55.04 -51.07 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.503 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -57.39 -46.89 82.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -55.04 -49.92 70.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.242 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.575 HG22 ' CD1' ' A' ' 81' ' ' ILE . 3.9 t -60.54 -55.53 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.544 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 22.6 m-85 -52.02 -46.37 64.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -33.24 75.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -64.79 -67.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.5 mm? -44.25 -60.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -38.13 -54.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.21 -44.44 88.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.468 ' HE1' HG22 ' A' ' 76' ' ' ILE . 10.7 mtm -75.78 161.98 28.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.44 155.83 22.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.596 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 97.4 -163.47 21.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.455 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.0 m -69.96 97.63 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.521 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -94.69 135.85 35.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.884 HG23 HG23 ' A' ' 28' ' ' ILE . 1.2 m -91.27 105.08 17.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.406 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 70.8 m-85 -93.02 118.84 31.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.69 HG12 ' HB ' ' A' ' 26' ' ' VAL . 3.0 t -107.09 94.57 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.605 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -134.39 157.42 46.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.0 mt -102.16 129.07 27.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 118.14 5.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t -81.27 81.51 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 48.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.16 78.2 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 117.53 4.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.91 -53.33 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.048 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.2 m -69.45 131.87 45.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.943 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 p -92.35 158.56 16.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.9 p -166.45 143.06 4.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.63 150.98 11.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -113.71 112.41 23.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 109.977 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m 62.91 -88.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.5 161.8 10.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 mt -102.73 145.81 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.6 p -55.33 165.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -151.95 122.03 7.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.4 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -111.33 59.75 0.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -151.82 24.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -91.33 19.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.6 ' CD1' HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -106.41 170.23 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -115.47 -147.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 p -52.8 112.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 15' ' ' TYR . 3.1 mt -107.89 142.13 21.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.65 71.02 0.17 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER 170.74 61.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 109.6 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.541 ' CE1' HG21 ' A' ' 26' ' ' VAL . 3.4 m-30 -75.2 56.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.28 53.25 1.75 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.09 -47.85 3.93 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.76 -167.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.39 125.23 15.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 21' ' ' TYR . 6.7 m -112.3 137.84 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -103.19 111.85 24.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 101' ' ' THR . 5.1 mp -82.03 130.9 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.79 121.68 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -98.1 123.91 42.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.727 HG13 HD12 ' A' ' 66' ' ' LEU . 2.7 mt -114.53 132.77 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -88.17 110.12 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HB2' HD11 ' A' ' 100' ' ' LEU . 16.8 mtpt -115.02 154.2 29.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -102.08 172.07 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HA ' ' CG ' ' A' ' 97' ' ' HIS . 26.7 mtm180 -84.75 29.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.13 33.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.441 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -122.67 126.92 25.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 145.43 31.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.8 tp -61.56 -56.27 21.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 72.43 38.39 58.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.28 117.21 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -86.94 153.81 21.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.44 146.2 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.18 164.86 11.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -97.28 122.86 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.598 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.4 mm-40 -107.46 165.35 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -18.37 -58.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.4 m-20 -156.81 24.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.401 ' HB3' HD11 ' A' ' 51' ' ' ILE . 12.8 m -134.12 153.44 51.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.956 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.718 ' C ' HD12 ' A' ' 51' ' ' ILE . 98.2 t -103.42 103.3 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.718 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.4 mp -105.58 156.61 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 55' ' ' ILE . 29.9 mm -69.56 145.51 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.15 -46.63 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' O ' HD13 ' A' ' 55' ' ' ILE . 6.0 ttt180 -148.2 163.16 37.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.48 HD13 ' O ' ' A' ' 54' ' ' ARG . 44.4 mm -126.68 119.31 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 9.6 t -84.06 148.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -79.64 149.07 31.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.86 -5.47 61.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.54 150.32 39.84 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.74 -22.52 64.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 0.782 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -73.97 -60.63 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 9.3 tt0 -48.71 -61.29 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -39.16 -69.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.02 -49.23 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.96 14.44 67.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.727 HD12 HG13 ' A' ' 31' ' ' ILE . 8.0 mt -80.37 -22.93 40.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.749 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 2.6 mm? -103.27 121.48 42.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -133.66 153.67 51.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.581 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.84 115.72 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 119.78 -6.65 12.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.25 135.04 36.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 31.6 tt0 -101.53 128.46 47.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.487 HG12 HG13 ' A' ' 81' ' ' ILE . 12.2 t -94.87 140.01 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ILE . 6.9 mt -129.42 -54.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -135.83 143.26 45.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.335 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.1 mt -136.05 106.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER 65.75 14.57 9.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.44 -27.91 10.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.913 HG21 HD22 ' A' ' 92' ' ' LEU . 3.3 mp -71.58 130.93 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.451 ' O ' ' CE ' ' A' ' 84' ' ' LYS . 1.3 mt-10 -69.15 155.71 39.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.522 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.4 mm -128.39 -49.31 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -39.7 126.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.54 -48.83 2.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.451 ' CE ' ' O ' ' A' ' 80' ' ' GLU . 40.6 mttm -40.99 160.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 17.1 t0 -90.74 159.48 16.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 87' ' ' ASN . 31.2 m -55.74 -49.07 76.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -59.43 -46.44 88.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.602 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -52.55 -50.82 62.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.522 ' CG2' HG23 ' A' ' 81' ' ' ILE . 9.1 t -59.45 -56.75 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -50.47 -40.38 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -33.62 75.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.913 HD22 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -66.34 -66.79 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' MET . 2.5 mm? -43.14 -60.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.615 ' O ' ' CE1' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -43.28 -52.32 5.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 110.0 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -59.07 -32.82 70.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.552 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 12.2 mtm -89.49 162.4 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.615 ' CE1' ' O ' ' A' ' 94' ' ' SER . 90.4 m-70 -159.89 164.13 33.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 87.69 -163.31 33.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 35.4 m -71.81 98.93 2.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -98.39 137.94 36.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.581 HG23 HG23 ' A' ' 28' ' ' ILE . 5.4 m -90.34 107.87 19.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 41.7 m-85 -93.57 116.57 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.1 94.32 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.94 161.73 35.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.4 mt -107.6 122.57 40.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 115.74 4.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 109' ' ' GLY . 3.4 t -73.32 59.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.1 m 40.85 30.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.962 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 107' ' ' SER . . . 70.53 158.52 2.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.128 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 83.33 1.83 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.801 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.6 m -92.79 150.4 20.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.2 113.44 26.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.41 168.8 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 0.785 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -120.2 131.66 55.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.62 167.56 19.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.88 93.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.02 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -63.52 147.58 50.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.6 -124.3 0.72 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 82.44 2.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 10' ' ' THR . 66.1 mt -96.55 139.07 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' ILE . 44.1 p 40.67 -162.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.63 111.11 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 1.007 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -116.84 -138.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 32.45 54.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 1.007 HG23 ' O ' ' A' ' 12' ' ' GLU . 54.6 t -137.88 21.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 15' ' ' TYR . 3.0 m-85 -108.63 168.4 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.24 -146.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.2 p -53.36 126.44 21.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 19' ' ' GLY . 50.0 mm -80.55 -100.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 18' ' ' ILE . . . 168.83 -53.94 0.21 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' TYR . 8.2 p80 -78.74 -30.3 45.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 109.61 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' HIS . 22.6 m-85 36.68 85.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.8 -153.46 6.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.81 44.03 3.31 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.21 177.01 7.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.88 124.67 28.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.752 HG12 HG12 ' A' ' 105' ' ' ILE . 4.1 m -117.87 144.71 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -104.82 116.94 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.539 ' CG2' HG23 ' A' ' 101' ' ' THR . 5.3 mp -87.27 132.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.75 118.5 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 12.1 mtt180 -97.63 125.98 42.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.964 HD11 ' HB2' ' A' ' 66' ' ' LEU . 95.1 mt -120.87 142.36 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -91.83 109.43 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.76 129.27 55.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.61 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -75.12 169.77 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -77.8 1.44 20.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.342 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.99 37.04 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.61 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -119.2 127.46 26.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 153.11 41.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 tp -67.81 -57.78 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.5 38.06 45.28 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -144.37 120.25 10.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -86.81 153.87 21.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.661 HG23 HG12 ' A' ' 86' ' ' VAL . 3.3 m -144.8 143.82 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.7 162.62 12.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.8 m-20 -96.37 99.16 10.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.8 mm-40 -80.9 165.05 22.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.581 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.9 mmm -19.79 -59.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -155.23 24.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.429 ' HB3' HD11 ' A' ' 51' ' ' ILE . 19.1 m -133.13 153.37 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.753 ' C ' HD12 ' A' ' 51' ' ' ILE . 90.4 t -101.49 102.62 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.753 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.4 mp -107.5 153.78 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 55' ' ' ILE . 27.3 mm -68.12 144.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -44.78 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.497 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -154.37 159.16 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.514 HD11 HG21 ' A' ' 52' ' ' ILE . 32.2 mm -120.65 121.6 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -86.56 146.07 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -76.84 147.89 36.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.38 -2.87 64.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.155 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.21 148.47 31.31 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -29.37 59.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -69.11 -56.02 8.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 13.7 tt0 -61.67 -51.39 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -40.1 -67.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.5 p -64.98 -36.34 84.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 72.38 40.21 55.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.573 1.171 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.964 ' HB2' HD11 ' A' ' 31' ' ' ILE . 7.0 mt -97.7 -16.8 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.489 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.3 mm? -103.89 131.66 50.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -133.69 137.56 45.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.46 114.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.02 -3.15 16.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 14.1 m-20 -80.89 130.76 35.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 24.7 tt0 -96.3 131.8 42.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.455 HG11 HD11 ' A' ' 76' ' ' ILE . 4.6 t -99.6 133.72 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.371 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD22 ' NH1' ' A' ' 82' ' ' ARG . 23.1 mt -119.98 -52.15 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.37 151.45 49.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.87 HG21 HD21 ' A' ' 93' ' ' LEU . 46.9 mt -139.74 103.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.01 13.73 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.85 -27.45 9.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.893 HG21 HD22 ' A' ' 92' ' ' LEU . 2.7 mp -70.74 133.62 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.57 157.62 36.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.594 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.5 mm -134.15 -46.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' NH1' HD22 ' A' ' 74' ' ' LEU . 2.3 ttt85 -39.87 120.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.31 -41.22 2.61 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' ILE . 24.8 mttm -45.46 154.48 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -88.69 160.06 17.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.661 HG12 HG23 ' A' ' 43' ' ' VAL . 29.7 m -53.03 -50.58 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.463 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -56.12 -47.72 77.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.665 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -54.28 -50.42 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.594 ' CG2' HG23 ' A' ' 81' ' ' ILE . 5.1 t -59.64 -55.89 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.523 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 19.8 m-85 -51.38 -54.01 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.68 -47.74 76.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.893 HD22 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -45.58 -71.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.87 HD21 HG21 ' A' ' 76' ' ' ILE . 92.3 mt -47.66 -51.52 21.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.95 -58.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.52 -39.5 84.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.3 mtm -75.46 161.33 29.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.8 151.33 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.606 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.73 -168.86 20.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.7 m -65.71 97.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -95.48 138.73 32.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.539 HG23 ' CG2' ' A' ' 28' ' ' ILE . 23.2 m -93.82 106.76 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -92.6 117.13 29.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 t -102.31 94.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -134.49 161.07 36.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.752 HG12 HG12 ' A' ' 26' ' ' VAL . 9.8 mt -106.87 122.95 40.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.65 4.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 108' ' ' SER . 3.9 t -74.93 60.67 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 107' ' ' SER . 45.0 m 39.29 32.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 107' ' ' SER . . . 42.93 -119.7 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 85.59 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 82.9 p -41.54 -45.4 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.028 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.56 122.61 45.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -130.56 126.87 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.61 113.39 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.49 -179.79 22.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 m -94.43 -62.05 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.959 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t 55.6 102.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.15 155.37 10.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 74.9 3.87 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.0 mt -109.86 144.6 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 p -55.4 121.38 8.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.429 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.24 104.29 14.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -105.27 67.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.39 16.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.498 ' O ' HG12 ' A' ' 14' ' ' VAL . 21.9 t -96.42 17.43 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.413 ' CB ' HD11 ' A' ' 18' ' ' ILE . 28.5 m-85 -41.53 140.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -79.29 -145.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 1.3 p -54.27 107.46 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.413 HD11 ' CB ' ' A' ' 15' ' ' TYR . 3.0 mt -92.19 154.2 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -59.08 3.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.539 1.149 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 21.2 t60 -100.31 77.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 0.782 . . . . 0.0 109.615 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.752 ' CD1' HG21 ' A' ' 26' ' ' VAL . 2.4 m-85 -49.86 179.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.72 94.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . 39.15 69.34 0.41 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -175.12 -172.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.82 122.89 23.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.752 HG21 ' CD1' ' A' ' 21' ' ' TYR . 2.4 m -110.24 133.38 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -97.12 117.7 31.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.498 ' N ' HD12 ' A' ' 28' ' ' ILE . 5.1 mp -91.84 147.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.541 ' HB ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -152.16 118.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -88.9 113.55 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.737 HG12 HD12 ' A' ' 66' ' ' LEU . 67.6 mt -104.79 138.02 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -97.36 119.98 36.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' CG ' ' CB ' ' A' ' 60' ' ' ALA . 7.6 mtpm? -127.33 136.61 52.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -74.93 171.92 13.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 1.0 OUTLIER -80.49 38.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER 170.73 40.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.552 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -121.88 126.56 26.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.03 34.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 1.042 HD23 HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -60.74 -52.08 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.1 35.98 57.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.749 ' HB3' HD12 ' A' ' 39' ' ' LEU . . . -145.19 118.12 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -86.21 152.16 23.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.805 HG12 HD13 ' A' ' 52' ' ' ILE . 1.7 m -141.13 156.4 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 55.0 mtp180 -100.89 156.27 17.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.349 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.93 97.76 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -82.79 164.71 20.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.543 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 mmt -24.18 -58.76 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -151.18 23.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.3 m -132.68 153.59 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 73' ' ' VAL . 55.5 t -108.25 100.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.2 mp -104.01 145.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.805 HD13 HG12 ' A' ' 43' ' ' VAL . 5.3 mm -64.46 162.24 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.468 ' HB2' ' CG ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -140.31 -54.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -131.8 146.7 52.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 55' ' ' ILE . 29.9 mm -116.49 106.02 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.4 146.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -82.15 156.51 24.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.405 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . 77.82 -2.4 64.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.66 156.05 34.42 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.484 ' CB ' ' CG ' ' A' ' 33' ' ' LYS . . . -66.07 -22.34 66.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.912 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . . . -74.92 -53.18 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 3.9 tt0 -55.85 -66.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLU . 5.1 mttp -39.97 -60.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.6 p -55.16 -37.06 66.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 62.53 44.21 97.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.737 HD12 HG12 ' A' ' 31' ' ' ILE . 19.6 mt -110.34 -12.02 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.722 HD21 ' CD1' ' A' ' 31' ' ' ILE . 2.6 mm? -106.69 131.02 54.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -133.47 132.72 41.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.565 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -47.48 114.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.65 5.04 18.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD1' HD13 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -88.65 124.71 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' OE2' HD21 ' A' ' 74' ' ' LEU . 25.3 tt0 -89.59 129.15 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.681 HG12 HG13 ' A' ' 81' ' ' ILE . 18.3 t -87.28 134.59 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.754 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -126.67 -54.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -133.0 142.44 48.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.51 HG21 HD21 ' A' ' 93' ' ' LEU . 25.6 mt -135.92 102.84 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER 69.95 19.08 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.22 -23.67 28.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 mp -79.53 130.27 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 2.4 tt0 -71.39 161.4 31.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.681 HG13 HG12 ' A' ' 73' ' ' VAL . 2.5 mm -126.59 -43.67 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.754 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -40.7 118.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.33 -17.47 51.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 80' ' ' GLU . 21.3 mttp -74.61 165.39 25.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -97.77 138.26 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.775 HG23 HG23 ' A' ' 43' ' ' VAL . 1.5 p -40.31 -49.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.48 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -60.07 -45.94 91.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.8 OUTLIER -52.45 -49.34 64.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.437 HG21 HG21 ' A' ' 50' ' ' VAL . 37.0 t -56.76 -48.34 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.728 ' CZ ' HG22 ' A' ' 86' ' ' VAL . 23.3 m-30 -57.25 -32.3 66.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.06 -37.35 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 95' ' ' ASP . 0.2 OUTLIER -54.81 -64.28 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 1.042 HD13 HD23 ' A' ' 39' ' ' LEU . 87.2 mt -49.77 -46.54 50.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -17.97 9.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.8 m-20 -105.8 13.66 29.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . 24.2 mtm -135.1 148.44 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.532 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 2.0 m-70 -150.31 155.1 39.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.24 -170.12 23.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 m -68.07 102.4 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 110.441 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.47 ' CD2' ' HB3' ' A' ' 96' ' ' MET . 0.3 OUTLIER -100.69 141.34 33.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.423 HG23 ' CG2' ' A' ' 28' ' ' ILE . 40.1 m -93.1 101.09 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -85.0 116.85 23.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.54 94.92 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -136.74 156.54 48.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.538 ' CD1' HD11 ' A' ' 74' ' ' LEU . 5.7 mt -104.37 127.44 29.08 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.99 5.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.0 t -77.07 57.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.933 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.4 m 41.5 33.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.02 -85.65 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.1 p -132.28 131.91 42.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.949 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.8 m -86.93 124.14 32.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -87.55 98.37 11.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -170.25 101.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.73 -154.12 9.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -75.02 167.54 21.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.954 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -74.81 129.79 38.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.26 157.35 28.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -168.63 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 9' ' ' ILE . 31.0 mm -102.54 156.05 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.1 m -76.59 159.0 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 97.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.95 10.34 14.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' C ' ' CG2' ' A' ' 14' ' ' VAL . 17.1 mtt180 -104.04 74.64 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.414 ' CG2' ' C ' ' A' ' 13' ' ' ARG . 2.7 t -150.45 20.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.953 ' CD1' HD11 ' A' ' 18' ' ' ILE . 24.1 p90 -91.07 156.47 17.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -93.81 -147.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.41 97.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.953 HD11 ' CD1' ' A' ' 15' ' ' TYR . 39.4 mm -65.4 -28.9 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.81 -69.07 0.72 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -55.05 -30.33 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.558 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 44.81 -170.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . -58.27 -162.49 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.35 64.2 0.25 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -160.58 173.62 15.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.325 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.78 122.49 36.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.729 HG12 ' CG1' ' A' ' 105' ' ' ILE . 11.0 m -116.87 154.17 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -112.14 113.4 25.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.479 HG13 HG13 ' A' ' 103' ' ' VAL . 4.9 mp -80.11 129.44 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -132.41 117.86 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -92.98 111.52 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.62 HD12 HD11 ' A' ' 67' ' ' LEU . 75.6 mt -104.77 136.93 36.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -88.79 119.71 29.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HB3' HD11 ' A' ' 100' ' ' LEU . 2.5 tttt -125.51 146.02 49.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.792 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -93.64 169.66 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtm105 -80.67 5.02 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.03 19.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.792 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -112.03 125.12 30.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 149.03 35.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.771 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.56 -58.42 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.57 38.49 24.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.19 119.29 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -88.81 153.16 21.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.347 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.721 HG12 HD13 ' A' ' 52' ' ' ILE . 3.0 m -138.93 156.22 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -109.2 161.99 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.539 ' ND2' ' OD1' ' A' ' 85' ' ' ASP . 0.9 OUTLIER -96.7 101.35 12.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.584 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -87.85 164.71 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.584 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -20.22 -58.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -154.35 23.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.409 ' CB ' ' OE1' ' A' ' 72' ' ' GLU . 74.7 m -132.97 153.66 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.5 t -102.86 92.14 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.426 HD11 ' OE1' ' A' ' 72' ' ' GLU . 2.8 mp -94.77 145.48 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.721 HD13 HG12 ' A' ' 43' ' ' VAL . 17.4 mm -59.9 146.5 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 p -119.15 -44.26 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 10.1 ttt-85 -151.57 159.31 44.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.42 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 43.9 mm -124.32 121.7 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 t -81.87 143.28 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -78.83 138.37 38.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' LYS . . . 84.86 1.69 88.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.61 144.84 23.44 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.64 -30.54 5.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -66.74 -55.06 16.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.21 -47.87 80.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -45.05 -67.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.5 p -57.72 -48.34 79.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.6 44.34 7.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' HB2' HD11 ' A' ' 31' ' ' ILE . 17.8 mt -113.69 -6.62 13.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 0.753 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.62 HD11 HD12 ' A' ' 31' ' ' ILE . 4.4 mt -120.54 126.14 49.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -133.9 156.07 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.629 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 64.0 mt-10 -62.07 124.81 21.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.37 -5.4 28.31 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' OD1' ' HA ' ' A' ' 106' ' ' PRO . 14.1 m-20 -80.91 134.24 35.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 28.7 tt0 -100.52 132.19 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.573 HG12 HG13 ' A' ' 81' ' ' ILE . 10.2 t -99.6 141.34 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -127.52 -47.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt-10 -142.72 150.04 39.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' A' ' 81' ' ' ILE . 73.4 mt -143.41 109.93 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.66 11.64 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.75 -27.17 9.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 92' ' ' LEU . 3.0 mp -70.96 135.0 28.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.21 142.37 43.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.573 HG13 HG12 ' A' ' 73' ' ' VAL . 5.6 mm -113.03 -23.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -53.36 119.91 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . 87.05 -42.81 3.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' GLY . 29.1 mttm -40.05 118.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.539 ' OD1' ' ND2' ' A' ' 45' ' ' ASN . 49.9 t0 -55.03 172.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.54 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 15.6 m -66.0 -44.61 92.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -61.01 -47.75 84.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -50.34 -51.4 45.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.56 ' CG2' HG23 ' A' ' 81' ' ' ILE . 7.2 t -60.93 -56.03 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 19.6 m-30 -50.62 -51.1 51.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -34.08 74.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.573 ' CD2' HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -63.14 -69.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.4 mm? -43.93 -59.94 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -38.1 -53.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.012 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -59.64 -44.94 93.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 12.4 mtm -75.16 165.35 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -161.78 174.54 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 78.22 -166.71 52.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.14 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.4 m -68.3 97.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -91.32 142.91 27.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.5 m -95.74 99.63 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 60.7 m-85 -88.09 117.94 27.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.479 HG13 HG13 ' A' ' 28' ' ' ILE . 4.3 t -106.1 94.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.602 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -137.15 160.92 37.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.729 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.2 mt -104.49 124.16 38.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.457 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -75.03 115.89 4.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.2 t -73.65 80.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -77.81 54.23 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.2 110.1 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 172.41 16.42 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t -137.69 141.46 41.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.39 134.63 53.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -152.0 168.49 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -131.25 131.91 44.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.1 127.09 6.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -152.78 169.16 23.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 166.38 6.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.83 173.57 0.2 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -173.63 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' THR . 81.2 mt -107.93 154.96 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 9' ' ' ILE . 58.0 m 56.78 161.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.14 107.34 15.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.67 63.33 8.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.35 18.97 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.686 ' O ' HG12 ' A' ' 14' ' ' VAL . 83.1 t -119.98 18.5 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' CB ' HD11 ' A' ' 18' ' ' ILE . 48.1 m-85 -38.88 139.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' HD12 ' A' ' 18' ' ' ILE . 1.1 tp10 -75.92 -144.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -57.65 111.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' ' 16' ' ' GLU . 2.6 mp -98.87 142.87 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.08 60.93 3.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -176.01 55.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.553 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -66.95 100.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.52 -67.69 2.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.76 -44.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -163.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.07 122.82 17.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.626 HG12 ' CG1' ' A' ' 105' ' ' ILE . 5.6 m -107.43 138.42 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -99.82 115.49 29.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.454 ' N ' HD12 ' A' ' 28' ' ' ILE . 4.6 mp -86.26 146.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -150.68 118.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 7.5 mtt180 -91.23 108.06 19.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.607 ' CG1' HD12 ' A' ' 66' ' ' LEU . 81.2 mt -101.46 137.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -90.15 119.64 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.697 ' HZ3' ' N ' ' A' ' 39' ' ' LEU . 2.8 mtpp -119.96 125.34 48.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -70.58 172.6 8.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -81.06 20.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 34' ' ' ALA . 1.7 t0 -174.18 34.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.537 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -119.45 123.32 28.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.507 ' C ' ' NZ ' ' A' ' 33' ' ' LYS . 18.3 Cg_endo -75.0 157.86 42.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.889 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -64.91 -58.28 6.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.37 35.23 26.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.693 ' HB3' HD12 ' A' ' 39' ' ' LEU . . . -143.4 122.71 13.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.767 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -85.41 150.64 24.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.749 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -139.6 148.69 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.59 158.6 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -95.2 124.04 39.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.587 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -107.04 165.06 11.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.587 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.9 mmm -19.66 -57.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.4 m-20 -153.23 22.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.4 m -133.3 153.53 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.67 100.94 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp -102.15 154.04 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.662 HD13 HG12 ' A' ' 43' ' ' VAL . 3.9 mm -68.59 149.32 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.82 -46.88 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 4.7 ttt180 -150.05 162.95 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.503 HD13 ' HB1' ' A' ' 41' ' ' ALA . 13.2 mm -127.32 120.18 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 t -82.62 147.18 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -91.91 134.99 34.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.09 -9.25 56.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.65 -174.14 41.43 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.82 -40.68 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.786 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . . . -59.67 -55.14 38.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -48.09 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 3.5 mttt -38.14 -65.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.9 p -45.45 -44.02 11.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.99 33.56 84.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.607 HD12 ' CG1' ' A' ' 31' ' ' ILE . 9.9 mt -105.58 -1.47 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.758 ' CD2' HD21 ' A' ' 104' ' ' LEU . 4.5 mt -127.35 129.69 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.76 153.58 51.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.545 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 31.3 mt-10 -60.25 130.36 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.55 -3.5 36.86 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' OD1' ' HA ' ' A' ' 106' ' ' PRO . 18.9 m-20 -84.22 128.48 34.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.3 tt0 -92.32 130.4 38.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.592 HG12 HG13 ' A' ' 81' ' ' ILE . 19.9 t -90.87 138.79 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.819 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -126.68 -55.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.3 mt-10 -134.92 144.76 47.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.765 HG21 HD21 ' A' ' 93' ' ' LEU . 41.3 mt -137.81 106.92 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.6 ' OD1' HD23 ' A' ' 100' ' ' LEU . 0.1 OUTLIER 69.87 9.52 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.75 -27.2 8.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.411 HG21 ' CD2' ' A' ' 92' ' ' LEU . 3.1 mp -71.1 138.62 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.45 156.44 36.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.592 HG13 HG12 ' A' ' 73' ' ' VAL . 3.5 mm -126.61 -45.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.819 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -39.34 115.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.35 -43.46 1.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.8 mttm -44.89 133.9 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -58.83 141.2 53.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.749 HG23 HG23 ' A' ' 43' ' ' VAL . 7.4 p -47.66 -31.87 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.473 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -76.23 -43.28 42.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.666 ' O ' HD12 ' A' ' 92' ' ' LEU . 1.6 mm-40 -49.29 -43.05 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.525 ' CG2' HG23 ' A' ' 81' ' ' ILE . 47.9 t -63.15 -53.61 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.657 ' CE1' HG22 ' A' ' 43' ' ' VAL . 22.9 m-30 -46.51 -54.32 9.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' LEU . 1.2 t0 -58.54 -53.38 59.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -39.51 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.765 HD21 HG21 ' A' ' 76' ' ' ILE . 70.6 mt -50.67 -42.37 56.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -16.16 19.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -114.78 23.23 12.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.528 ' HE3' HD23 ' A' ' 93' ' ' LEU . 19.7 mtm -134.74 147.05 49.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.45 155.02 41.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.93 -177.84 31.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -66.26 108.63 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.608 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.6 OUTLIER -102.53 143.66 31.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.442 HG23 ' CG2' ' A' ' 28' ' ' ILE . 13.0 m -95.55 101.78 13.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.646 ' HB2' HG23 ' A' ' 29' ' ' VAL . 44.1 m-85 -83.97 118.39 23.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.77 94.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.758 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -139.52 159.85 41.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.626 ' CG1' HG12 ' A' ' 26' ' ' VAL . 2.4 mt -107.42 129.97 23.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.454 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.95 119.53 5.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.5 t -75.33 80.32 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 t -76.48 55.3 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.77 -145.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 115.01 4.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.85 139.08 23.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.2 p -56.26 119.01 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -49.0 -59.3 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -164.21 97.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.58 154.58 9.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.541 1.15 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t -173.96 111.62 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -161.75 171.05 18.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.39 144.77 3.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.83 4.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.752 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 mt -72.05 140.54 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.06 -148.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -93.18 -145.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 5.6 tt0 -112.54 55.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.08 12.16 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.489 ' O ' HG12 ' A' ' 14' ' ' VAL . 21.7 t -99.69 19.17 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -37.91 133.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.17 -143.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -58.48 120.23 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mt -108.77 142.75 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.65 63.25 1.9 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -172.84 50.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.612 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.589 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.6 m-30 -67.25 95.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.74 -72.49 2.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.38 -45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -162.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 0.743 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.91 122.25 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.589 HG21 ' CD1' ' A' ' 21' ' ' TYR . 5.5 m -104.97 137.2 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -102.65 110.7 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.533 HG23 HG23 ' A' ' 101' ' ' THR . 4.6 mp -81.6 124.06 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -126.83 119.34 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -94.52 116.35 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.578 HD12 HD11 ' A' ' 67' ' ' LEU . 76.1 mt -108.02 136.11 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -93.14 114.82 27.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' HB2' HD11 ' A' ' 100' ' ' LEU . 7.9 mtpm? -121.27 130.33 53.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -72.93 172.24 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -81.53 17.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -163.68 31.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -117.45 129.41 25.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.63 42.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.4 HD22 HD12 ' A' ' 93' ' ' LEU . 25.8 tp -66.24 -58.76 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 75.55 36.74 42.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.097 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.22 116.88 8.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -85.65 158.18 20.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.682 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 3.5 m -148.01 146.48 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.26 163.18 12.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 98.35 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.579 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.1 mm-40 -81.26 164.85 21.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.579 ' C ' ' O ' ' A' ' 46' ' ' GLU . 4.4 mmm -20.07 -58.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -155.06 24.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.8 m -132.8 153.06 51.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.503 ' C ' HD12 ' A' ' 51' ' ' ILE . 79.1 t -103.0 98.44 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.0 mp -102.64 151.61 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.09 143.65 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.55 -45.66 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.44 ' O ' HD13 ' A' ' 55' ' ' ILE . 3.1 ttt-85 -153.2 160.59 42.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 54' ' ' ARG . 40.6 mm -122.38 120.61 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 11.5 t -84.67 144.64 9.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -82.62 137.84 34.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 57' ' ' LYS . . . 91.91 3.62 67.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.89 164.76 32.78 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.39 -20.77 63.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 67' ' ' LEU . . . -75.22 -51.39 13.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.12 -64.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.89 -64.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -54.89 -49.63 70.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.84 46.63 16.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.562 HD12 ' CG1' ' A' ' 31' ' ' ILE . 17.4 mt -115.07 -8.38 12.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD11 HD12 ' A' ' 31' ' ' ILE . 1.8 mt -120.93 125.67 48.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -134.39 156.99 47.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.623 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -62.1 114.04 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.05 -10.59 8.81 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 31.7 m-20 -77.33 134.69 38.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.577 ' OE1' HD11 ' A' ' 51' ' ' ILE . 20.1 tt0 -101.61 133.7 45.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.617 HG12 HG13 ' A' ' 81' ' ' ILE . 30.8 t -98.72 140.9 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 105' ' ' ILE . 0.7 OUTLIER -129.28 -51.3 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -137.87 144.56 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.711 HG21 HD21 ' A' ' 93' ' ' LEU . 49.8 mt -135.52 107.14 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 64.58 13.59 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.68 -24.01 14.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.774 HG21 HD22 ' A' ' 92' ' ' LEU . 3.0 mp -72.38 133.25 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.31 151.23 41.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.617 HG13 HG12 ' A' ' 73' ' ' VAL . 4.0 mm -123.35 -42.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.31 114.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . 96.84 -45.57 1.81 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.0 mttm -40.32 135.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 10.0 t70 -68.92 159.5 32.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.495 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 19.0 m -55.53 -41.98 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.67 -47.75 79.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -49.31 -51.89 31.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 81' ' ' ILE . 55.6 t -58.67 -58.46 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.682 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 20.3 m-85 -49.4 -52.22 29.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -42.43 92.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.774 HD22 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -51.26 -71.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.711 HD21 HG21 ' A' ' 76' ' ' ILE . 88.4 mt -45.92 -51.08 13.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.11 -57.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.954 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.79 -39.03 87.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.574 ' HE2' HD23 ' A' ' 93' ' ' LEU . 14.1 mtm -75.25 160.8 29.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.81 149.44 14.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 101.25 -168.18 19.78 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.7 m -67.16 97.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.431 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -94.21 138.64 32.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.533 HG23 HG23 ' A' ' 28' ' ' ILE . 5.1 m -90.97 99.94 12.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 74.4 m-85 -89.13 118.35 28.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.9 t -102.2 94.74 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.7 160.34 39.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.479 ' CD1' HD11 ' A' ' 74' ' ' LEU . 3.2 mt -108.86 127.2 27.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.406 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 18.2 Cg_endo -75.02 118.77 5.38 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.5 t -72.02 79.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.99 55.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.19 111.67 4.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 95.94 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.06 157.32 46.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.29 98.29 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.563 1.164 . . . . 0.0 111.002 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -50.45 -60.4 3.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 0.758 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -176.66 75.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.31 154.82 7.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.555 1.159 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.87 142.13 47.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 0.0 110.018 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.43 112.52 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.17 108.1 0.37 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -169.57 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.5 mm -86.86 132.05 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 t -59.21 157.47 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -152.6 39.25 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.633 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 10.9 tt0 76.09 4.58 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -132.5 74.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.616 ' O ' HG12 ' A' ' 14' ' ' VAL . 62.1 t -145.83 23.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.891 ' CD1' HD11 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -111.56 -170.07 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.24 -148.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 p -55.88 110.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.891 HD11 ' CD1' ' A' ' 15' ' ' TYR . 25.6 mm -73.0 -24.78 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' HG22 ' A' ' 26' ' ' VAL . . . 79.71 -78.65 1.75 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.457 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 4.7 p80 -77.71 65.12 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.579 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.722 ' CD1' HG21 ' A' ' 26' ' ' VAL . 4.7 m-85 -56.1 96.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.0 -123.79 30.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.9 -25.96 8.75 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -169.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 0.727 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.9 124.3 19.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.722 HG21 ' CD1' ' A' ' 21' ' ' TYR . 11.6 m -107.77 161.32 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -120.23 118.96 31.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.646 HG23 HG23 ' A' ' 101' ' ' THR . 3.9 mp -95.78 110.9 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -116.99 117.86 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -94.14 119.08 32.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.972 HG13 HD12 ' A' ' 66' ' ' LEU . 64.6 mt -117.26 139.0 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -86.83 119.11 26.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.701 ' HZ1' ' HB3' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -117.64 159.33 23.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.812 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -108.46 169.84 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.436 ' HG2' ' CG ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -81.32 5.18 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.0 24.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.812 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -112.39 123.08 34.92 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.23 18.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 7.8 tp -46.6 -51.83 14.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.95 35.27 45.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.63 122.7 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -85.66 154.0 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -145.14 146.06 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.62 158.29 17.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -95.48 119.51 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.592 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.7 mm-40 -102.65 164.93 11.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.592 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 mmt -19.53 -57.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.6 m-20 -154.9 23.66 0.44 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.1 m -133.6 153.48 51.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.493 ' C ' HD12 ' A' ' 51' ' ' ILE . 46.4 t -106.64 105.07 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.9 mp -107.25 152.78 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.5 mm -67.37 148.55 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -49.48 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.953 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 13.8 ttp-105 -148.21 159.38 44.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.688 HG22 ' OE1' ' A' ' 62' ' ' GLU . 37.3 mm -122.42 114.89 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 t -80.74 147.46 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -78.46 155.91 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.421 ' HA2' ' CE ' ' A' ' 63' ' ' LYS . . . 65.27 9.78 44.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.61 143.48 19.22 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.701 ' HB3' ' HZ1' ' A' ' 33' ' ' LYS . . . -53.05 -26.25 15.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -78.95 -44.5 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.688 ' OE1' HG22 ' A' ' 55' ' ' ILE . 4.6 tt0 -70.72 -52.77 18.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.421 ' CE ' ' HA2' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -39.16 -62.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.7 p -62.43 -44.09 97.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.422 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 78.83 38.18 24.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.155 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.972 HD12 HG13 ' A' ' 31' ' ' ILE . 7.2 mt -98.9 -12.87 20.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 0.742 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.502 HD11 HD21 ' A' ' 104' ' ' LEU . 3.7 mm? -105.02 130.6 53.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -133.54 129.6 37.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -45.75 126.39 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.16 1.79 35.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.539 1.149 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.456 ' OD1' HD13 ' A' ' 104' ' ' LEU . 1.1 m-20 -86.76 129.2 34.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.0 tt0 -94.88 128.68 41.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.601 HG12 HG13 ' A' ' 81' ' ' ILE . 39.4 t -88.87 137.75 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.662 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -124.98 -49.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.74 145.78 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.547 HD12 HD11 ' A' ' 81' ' ' ILE . 77.4 mt -138.42 109.4 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 68.07 12.89 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.05 -27.93 10.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.7 137.47 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.453 ' O ' ' CE ' ' A' ' 84' ' ' LYS . 4.6 tt0 -76.23 148.51 37.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.611 ' CD1' HG22 ' A' ' 89' ' ' VAL . 3.5 mm -116.64 -43.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.662 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -38.23 114.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.14 -44.58 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 80' ' ' GLU . 22.7 mttm -42.66 141.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . 9.9 t0 -70.97 140.53 50.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 43' ' ' VAL . 7.9 p -43.96 -34.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.42 -42.62 53.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -50.92 -45.44 60.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.611 HG22 ' CD1' ' A' ' 81' ' ' ILE . 37.2 t -60.5 -50.01 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.68 ' CE1' HG22 ' A' ' 43' ' ' VAL . 13.5 m-30 -54.52 -48.11 72.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -30.9 71.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -67.13 -69.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.2 mm? -41.88 -60.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.49 -52.33 1.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -44.03 97.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.5 mtm -74.09 164.21 26.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 35' ' ' ARG . 1.5 p80 -164.2 159.83 20.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.63 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.39 -164.17 28.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.7 m -68.48 97.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -92.15 141.14 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.646 HG23 HG23 ' A' ' 28' ' ' ILE . 4.8 m -96.7 103.12 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 77.2 m-85 -92.65 119.98 32.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.567 HG13 HG13 ' A' ' 28' ' ' ILE . 4.8 t -111.35 94.84 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.502 HD21 HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -131.79 163.82 27.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.412 HG13 HD11 ' A' ' 74' ' ' LEU . 11.3 mt -108.3 128.83 24.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.38 5.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 108' ' ' SER . 7.1 t -77.7 64.89 3.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 107' ' ' SER . 0.8 OUTLIER 82.9 -7.23 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.969 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 39.14 -100.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 83.58 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -114.28 88.51 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.974 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.5 p -100.61 143.45 30.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -155.06 168.87 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.58 172.34 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.55 -64.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -45.96 168.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -164.42 170.82 15.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.077 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.73 98.85 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -171.51 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 110.949 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.45 135.33 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.8 m -122.91 154.24 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.487 ' OD2' ' CG2' ' A' ' 14' ' ' VAL . 4.5 p-10 -78.69 104.37 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -80.07 53.62 1.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' C ' ' CG2' ' A' ' 14' ' ' VAL . 3.2 ptt-85 -153.55 71.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' CG2' ' OD2' ' A' ' 11' ' ' ASP . 2.8 t -149.62 20.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -100.0 168.8 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -80.07 -145.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.5 p -61.62 125.75 24.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 mm -82.95 -24.74 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 26' ' ' VAL . . . 87.05 -77.03 2.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -71.73 70.21 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.669 ' CD1' HG21 ' A' ' 26' ' ' VAL . 2.7 m-85 -64.59 82.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.25 63.24 3.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.54 -54.47 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.767 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.7 126.22 18.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.669 HG21 ' CD1' ' A' ' 21' ' ' TYR . 2.2 m -109.7 136.5 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.98 114.27 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.626 HG23 HG22 ' A' ' 101' ' ' THR . 4.9 mp -87.66 146.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.67 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -147.86 119.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -99.09 115.81 29.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.816 HG13 HD12 ' A' ' 66' ' ' LEU . 70.1 mt -113.9 134.05 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -83.07 106.49 14.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.542 ' HZ2' ' HB2' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -108.23 159.32 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.55 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -110.69 169.87 8.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG2' ' CG ' ' A' ' 97' ' ' HIS . 4.9 mtm180 -82.53 7.94 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -147.37 21.63 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -113.78 130.18 24.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.84 38.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 27.1 tp -76.72 -57.83 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 73.37 39.61 50.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.54 119.12 9.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.6 m -85.67 147.78 26.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.832 HG23 HG23 ' A' ' 86' ' ' VAL . 1.5 m -140.94 150.09 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.512 ' CG ' ' CB ' ' A' ' 53' ' ' SER . 36.7 mtp180 -104.85 152.19 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 48.5 t30 -96.29 110.07 22.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.636 ' HB2' HD13 ' A' ' 51' ' ' ILE . 2.2 mm-40 -92.41 164.5 13.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.591 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.0 mmt -20.15 -56.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.6 m-20 -155.07 23.29 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.7 m -132.88 153.76 51.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.823 ' C ' HD12 ' A' ' 51' ' ' ILE . 3.3 t -104.04 112.75 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.823 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.6 mp -115.52 134.23 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.519 HD13 HG12 ' A' ' 43' ' ' VAL . 22.1 mm -56.97 147.19 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.512 ' CB ' ' CG ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -115.23 -52.31 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -149.12 163.82 36.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 37.3 mm -122.4 119.49 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.455 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 10.7 t -86.55 151.99 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.99 153.75 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.37 -0.36 69.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.9 148.12 19.68 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' CB ' ' HG3' ' A' ' 33' ' ' LYS . . . -53.89 -27.97 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -69.96 -57.29 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HB2' HG22 ' A' ' 55' ' ' ILE . 6.0 tt0 -63.65 -50.06 70.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -40.09 -65.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.412 ' OG ' ' CD1' ' A' ' 31' ' ' ILE . 66.0 p -69.15 -34.97 75.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.69 42.24 62.67 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.816 HD12 HG13 ' A' ' 31' ' ' ILE . 11.2 mt -100.52 -11.84 19.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.726 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.438 HD11 HD21 ' A' ' 104' ' ' LEU . 3.9 mm? -103.99 131.96 50.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.9 m80 -133.4 135.55 44.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.622 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 46.2 mt-10 -51.72 129.2 25.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.47 -8.78 44.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.544 ' HB3' HD13 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -73.14 131.56 42.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 74' ' ' LEU . 33.0 tt0 -105.53 100.34 9.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CA ' ' HB3' ' A' ' 104' ' ' LEU . 1.7 p -77.69 128.16 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.55 HD21 ' HG2' ' A' ' 72' ' ' GLU . 8.5 mt -114.53 -29.6 6.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.5 tt0 -140.16 141.89 36.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.917 HD12 HD11 ' A' ' 81' ' ' ILE . 10.4 mt -134.55 103.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 70.42 10.58 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.19 -25.82 8.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 3.5 mp -77.57 128.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 1.4 tt0 -64.57 168.96 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.917 HD11 HD12 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -135.68 -46.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -36.51 121.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . 98.53 -22.69 39.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' NZ ' ' O ' ' A' ' 80' ' ' GLU . 1.7 mttp -67.04 156.45 36.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -92.11 149.84 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.845 HG22 ' CE2' ' A' ' 90' ' ' PHE . 3.7 p -51.21 -38.62 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -45.53 72.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.51 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -55.26 -56.27 21.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.604 HG22 HD13 ' A' ' 81' ' ' ILE . 7.4 t -49.89 -53.64 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.845 ' CE2' HG22 ' A' ' 86' ' ' VAL . 14.9 m-85 -52.44 -48.0 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -42.82 93.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -50.86 -71.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.816 HD21 HD13 ' A' ' 76' ' ' ILE . 81.3 mt -43.42 -53.48 5.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.64 -59.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.5 -39.5 80.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' LEU . 10.5 mtm -76.68 165.07 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -165.5 173.91 10.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.573 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.13 -167.3 50.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.8 m -65.83 101.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.45 134.08 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.626 HG22 HG23 ' A' ' 28' ' ' ILE . 44.2 m -93.15 100.91 13.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.67 ' HB2' HG23 ' A' ' 29' ' ' VAL . 62.8 m-85 -84.88 123.91 31.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.95 94.37 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.544 HD13 ' HB3' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -133.0 156.37 47.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.539 ' CG1' HG12 ' A' ' 26' ' ' VAL . 5.2 mt -104.01 126.44 31.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 111.56 3.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.7 t -74.0 81.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 m -74.95 54.73 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -108.48 101.41 1.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -12.59 21.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.6 p -51.68 117.31 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.21 101.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.49 122.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 110.031 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -179.74 153.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.3 140.3 5.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -136.35 -64.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 t -166.99 -70.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.72 -76.11 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 100.56 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.1 mt -79.41 141.47 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p -70.12 -174.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.387 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.11 125.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.902 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.5 tt0 -156.67 99.98 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' CG ' ' C ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 51.8 21.56 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 12' ' ' GLU . 16.9 t -105.98 18.53 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -72.71 -171.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 17' ' ' SER . 2.7 pt-20 -114.56 -149.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -62.4 109.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.6 mp -97.71 142.54 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.44 57.38 4.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.419 1.075 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.73 -70.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 109.644 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.867 ' CD1' HG21 ' A' ' 26' ' ' VAL . 32.7 m-85 50.36 94.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.33 -133.2 2.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.85 63.82 0.38 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.66 ' OE2' HG13 ' A' ' 26' ' ' VAL . 1.9 pt-20 -151.99 -175.27 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.29 121.85 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.867 HG21 ' CD1' ' A' ' 21' ' ' TYR . 1.7 m -110.18 136.24 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.63 111.96 24.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.844 HG12 HG22 ' A' ' 103' ' ' VAL . 86.6 mt -88.55 152.67 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -149.3 118.63 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -89.58 104.5 17.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.66 HG12 HD12 ' A' ' 66' ' ' LEU . 73.8 mt -99.45 138.06 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -91.71 107.0 18.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HB3' HD11 ' A' ' 100' ' ' LEU . 6.6 tttt -110.23 160.12 16.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -118.82 169.83 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -82.9 10.54 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -148.96 25.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.15 127.71 26.52 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.02 27.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 53.8 tp -56.42 -57.55 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 70.05 35.55 71.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.81 120.21 9.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.418 ' HB ' ' OG ' ' A' ' 53' ' ' SER . 3.8 m -85.36 151.57 23.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -140.43 149.67 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 45.0 mtp180 -105.16 149.11 26.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 49.1 t30 -100.45 110.55 22.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.599 ' O ' ' C ' ' A' ' 47' ' ' MET . 42.2 mm-40 -97.41 165.16 12.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.599 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -18.61 -58.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' GLU . 9.5 m-20 -155.97 25.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 11.2 m -131.12 154.4 48.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.866 ' O ' HD13 ' A' ' 51' ' ' ILE . 16.6 t -107.33 118.53 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.866 HD13 ' O ' ' A' ' 50' ' ' VAL . 7.3 mm -124.0 132.14 71.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.0 mm -56.81 141.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.495 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -107.31 -53.74 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.006 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.7 ttt180 -149.32 163.42 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.494 HG22 ' HB2' ' A' ' 62' ' ' GLU . 49.4 mm -124.04 119.33 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' GLY . 11.0 t -85.01 147.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -78.02 146.66 35.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.09 -9.39 60.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 61' ' ' ALA . . . -79.29 133.75 12.9 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLY . . . -39.78 -30.5 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -65.85 -60.1 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.494 ' HB2' HG22 ' A' ' 55' ' ' ILE . 4.8 tt0 -60.14 -55.58 32.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -40.72 -62.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.411 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 81.8 p -64.99 -25.16 67.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 57.39 37.81 83.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 31' ' ' ILE . 9.6 mt -109.57 11.62 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.42 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 18.7 mt -138.31 123.15 18.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.26 156.66 48.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -61.68 130.09 44.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.13 -13.03 34.08 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.58 ' CG ' HD13 ' A' ' 104' ' ' LEU . 1.6 m-20 -72.21 123.12 22.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.749 ' HB2' HD12 ' A' ' 51' ' ' ILE . 43.8 tt0 -100.08 99.37 10.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.813 HG13 HG21 ' A' ' 81' ' ' ILE . 2.2 p -77.87 132.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.508 HD22 ' CZ ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -115.92 -33.36 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.237 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.9 mt-10 -140.51 145.75 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.696 HD12 HD11 ' A' ' 81' ' ' ILE . 9.8 mt -135.92 110.85 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 59.91 15.1 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.18 -28.93 8.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.581 HG21 HD22 ' A' ' 92' ' ' LEU . 3.8 mp -69.86 134.05 30.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.85 167.4 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.932 HD13 HG22 ' A' ' 89' ' ' VAL . 1.1 mm -137.03 -49.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.508 ' CZ ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -38.29 114.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . 101.25 -43.34 1.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' ILE . 15.6 mttm -42.28 130.18 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 88' ' ' GLU . 28.5 t70 -70.68 150.67 45.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.71 HG23 HG23 ' A' ' 43' ' ' VAL . 4.0 p -43.07 -37.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -44.2 65.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.575 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -52.41 -55.79 19.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.932 HG22 HD13 ' A' ' 81' ' ' ILE . 2.9 t -54.38 -44.27 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.607 ' CZ ' HG22 ' A' ' 86' ' ' VAL . 13.8 m-30 -63.59 -68.33 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.62 -25.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.581 HD22 HG21 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -70.08 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.617 HD21 HD13 ' A' ' 76' ' ' ILE . 60.9 mt -45.83 -53.61 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.0 t -39.06 -57.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -38.78 83.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' LEU . 11.1 mtm -77.91 166.51 22.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -168.57 164.11 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.67 -164.63 33.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.3 m -66.28 99.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 110.452 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -99.77 137.77 37.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.787 HG23 ' CG2' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -93.38 103.29 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.468 ' HB3' HD21 ' A' ' 104' ' ' LEU . 17.3 m-85 -87.13 116.77 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.844 HG22 HG12 ' A' ' 28' ' ' ILE . 46.8 t -102.76 94.01 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.58 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -134.26 158.49 43.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 32.1 mt -104.3 125.62 33.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 113.07 3.71 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.4 t -84.82 82.59 8.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.02 54.07 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -64.63 -99.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 p -160.05 144.02 14.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.5 m -112.29 145.24 40.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.95 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -135.84 170.29 16.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t -159.77 159.4 32.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.963 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.1 144.02 16.15 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.96 87.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.952 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -179.62 -47.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.83 149.23 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.61 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mt -76.85 130.53 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' ASP . 80.9 m -116.74 1.54 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' THR . 19.4 m-20 53.02 100.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.22 55.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' C ' HG23 ' A' ' 14' ' ' VAL . 2.7 ptm180 -151.98 75.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.622 ' O ' HG12 ' A' ' 14' ' ' VAL . 60.8 t -154.56 24.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.535 ' CE1' HD11 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -107.88 171.49 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.1 -143.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.4 p -53.44 153.78 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.535 HD11 ' CE1' ' A' ' 15' ' ' TYR . 11.7 mm -100.24 -31.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.8 -67.09 2.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.11 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' GLY . 29.3 p80 -78.65 64.2 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.619 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -56.6 84.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . 42.17 94.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLY . . . . . 0.402 ' O ' ' CG ' ' A' ' 24' ' ' GLU . . . 38.22 71.43 0.23 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER 179.08 168.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.739 . . . . 0.0 110.341 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.69 121.1 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.17 139.95 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -98.97 108.8 21.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.411 HG23 ' CG2' ' A' ' 101' ' ' THR . 4.3 mp -80.35 117.31 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -119.29 121.09 65.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 43.0 mtt180 -103.3 120.15 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.951 HG13 HD12 ' A' ' 66' ' ' LEU . 97.3 mt -117.47 143.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -94.78 95.11 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.616 ' HB3' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -101.21 105.18 16.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -61.25 159.46 12.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HD2' ' CD2' ' A' ' 97' ' ' HIS . 27.1 ttt180 -70.5 -5.76 31.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -126.49 10.29 7.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mm -104.24 129.05 25.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.56 36.93 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.49 ' CD2' HD12 ' A' ' 93' ' ' LEU . 2.6 tp -79.74 -56.83 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 65.4 39.49 95.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.29 115.56 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.7 m -85.75 153.92 21.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -146.73 146.68 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 171.61 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.46 107.24 17.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.623 ' HB2' HD13 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -88.24 164.75 15.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.605 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.9 mmm -18.2 -60.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.5 m-20 -151.41 21.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.1 m -132.77 153.87 50.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.813 ' C ' HD12 ' A' ' 51' ' ' ILE . 3.4 t -105.85 113.08 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.813 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.7 mp -114.67 153.07 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.73 143.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -42.31 3.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.493 ' O ' HD13 ' A' ' 55' ' ' ILE . 5.7 ttt180 -157.56 161.44 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 54' ' ' ARG . 36.1 mm -123.74 117.58 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 17.8 t -86.27 134.14 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -70.74 146.44 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' HE3' ' A' ' 57' ' ' LYS . . . 91.18 -6.78 81.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.22 164.55 38.57 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.91 85.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -48.45 -55.53 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 5.3 tt0 -57.17 -62.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 4.0 mttt -39.93 -68.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.53 -53.88 40.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 86.19 44.89 5.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.951 HD12 HG13 ' A' ' 31' ' ' ILE . 15.7 mt -112.06 -17.07 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.702 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 3.2 mm? -103.42 122.6 45.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -133.72 135.77 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -47.08 119.65 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.88 -13.04 17.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 2.3 m-20 -71.82 133.12 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 25.6 tt0 -101.75 124.3 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.606 ' CG1' HG21 ' A' ' 81' ' ' ILE . 3.5 t -91.61 116.47 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.452 HD22 ' NE ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -99.38 -56.97 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -137.09 151.85 49.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.655 HD12 ' CD1' ' A' ' 81' ' ' ILE . 50.8 mt -137.92 109.01 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.24 10.48 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.05 -28.04 8.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mp -73.4 141.35 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . 0.483 ' CB ' ' HE2' ' A' ' 84' ' ' LYS . 2.0 mt-10 -69.49 158.86 34.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.655 ' CD1' HD12 ' A' ' 76' ' ' ILE . 4.5 mm -135.99 -43.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 81' ' ' ILE . 2.4 mtt180 -35.12 -93.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -42.23 -34.52 1.56 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' A' ' 80' ' ' GLU . 15.1 mttm -57.48 133.48 55.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 9.1 t70 -74.84 168.51 19.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 87' ' ' ASN . 16.4 m -60.33 -48.59 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.461 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -57.6 -47.86 81.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.811 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -57.16 -31.61 65.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.509 HG22 HD13 ' A' ' 81' ' ' ILE . 19.7 t -77.97 -52.71 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -53.05 -32.47 47.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -35.18 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.811 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -61.07 -70.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.49 HD12 ' CD2' ' A' ' 39' ' ' LEU . 84.6 mt -43.97 -49.55 8.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.44 -57.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -36.46 83.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.4 mtm -76.39 165.85 24.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -168.35 -178.63 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.567 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.4 -163.12 53.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 m -69.64 100.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -96.21 132.8 41.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.411 ' CG2' HG23 ' A' ' 28' ' ' ILE . 94.2 m -88.37 102.45 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 67.0 m-85 -90.52 117.21 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.1 t -101.62 94.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.46 171.49 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.0 mt -122.16 125.99 26.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 108' ' ' SER . 18.3 Cg_endo -75.0 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 109' ' ' GLY . 2.9 t -69.03 64.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER 41.22 28.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 107' ' ' SER . . . 57.76 177.39 0.6 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 68.83 5.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -39.83 125.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 m -84.75 99.39 10.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.21 123.76 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t 66.69 163.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.24 -159.77 9.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.58 153.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 t -118.02 108.76 15.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.43 120.28 18.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.87 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 mt -77.54 148.21 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.3 m -117.68 159.21 23.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.05 94.47 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.05 52.3 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.551 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.7 mtp85 -147.15 79.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.72 ' O ' HG12 ' A' ' 14' ' ' VAL . 70.7 t -158.28 23.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -123.97 163.01 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -92.85 -147.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -57.23 121.34 9.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mt -107.61 147.48 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.05 59.63 2.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -174.51 57.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.596 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.703 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.4 m-85 -68.14 83.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.66 -109.75 3.58 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.3 -31.31 3.31 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -169.69 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 110.253 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.5 121.78 20.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.703 HG21 ' CD1' ' A' ' 21' ' ' TYR . 12.6 m -105.23 139.48 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -107.25 114.86 29.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.674 ' N ' HD12 ' A' ' 28' ' ' ILE . 3.6 mp -83.46 153.5 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.494 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -153.62 117.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -92.22 125.54 36.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.756 HG13 HD12 ' A' ' 66' ' ' LEU . 73.3 mt -121.06 134.87 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.82 113.98 26.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HZ2' HD13 ' A' ' 39' ' ' LEU . 3.3 mtpt -120.65 131.16 54.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -74.76 171.52 13.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -80.57 9.97 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.69 29.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -117.42 129.07 25.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.47 29.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.445 1.761 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.559 HD13 ' HZ2' ' A' ' 33' ' ' LYS . 37.7 tp -81.99 -46.49 13.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 63.99 40.01 97.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.26 120.29 10.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 0.722 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.3 m -86.0 147.22 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.907 HG12 HD13 ' A' ' 52' ' ' ILE . 27.5 m -136.56 153.38 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 55.8 mtp180 -101.68 173.35 6.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.835 ' OD1' HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -117.31 98.91 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.582 ' O ' ' C ' ' A' ' 47' ' ' MET . 4.4 mm-40 -84.94 165.07 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.582 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mmt -20.67 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -153.87 23.98 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.7 m -130.51 154.36 47.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.64 ' C ' HD12 ' A' ' 51' ' ' ILE . 20.6 t -106.47 113.25 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.0 mp -116.44 145.72 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.907 HD13 HG12 ' A' ' 43' ' ' VAL . 26.3 mm -64.27 143.09 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.47 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -112.61 -48.5 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.4 ttt180 -151.51 163.17 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 41.3 mm -121.78 118.59 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 11.5 t -82.95 140.72 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 128.59 33.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.97 -14.72 37.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.27 165.26 53.47 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' HG3' ' A' ' 33' ' ' LYS . . . -73.38 -28.29 61.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.779 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -67.05 -46.42 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 5.0 tt0 -58.61 -68.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -39.8 -56.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.405 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 32.6 p -60.37 -38.91 85.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 63.51 39.24 97.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.756 HD12 HG13 ' A' ' 31' ' ' ILE . 11.7 mt -102.04 -16.41 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.4 mm? -104.45 130.39 52.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -133.53 134.45 43.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -47.02 115.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.86 -6.15 18.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.68 121.7 23.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 57.2 tt0 -94.28 126.43 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.608 ' CG1' HG12 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -103.05 138.02 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 mt -121.44 -42.35 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.4 mt-10 -134.97 143.29 46.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.709 HD12 HD11 ' A' ' 81' ' ' ILE . 5.2 mt -133.74 103.98 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.24 8.49 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.9 -24.37 8.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.574 HG21 ' CD1' ' A' ' 92' ' ' LEU . 3.1 mp -70.42 128.57 33.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -77.06 117.29 18.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.709 HD11 HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -90.14 -26.34 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 105.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.06 -29.51 9.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' ILE . 1.2 mttp -56.2 138.13 50.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.784 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -78.96 170.51 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.168 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.835 HG13 ' OD1' ' A' ' 45' ' ' ASN . 27.6 m -59.92 -48.82 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.444 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -62.79 -45.19 93.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -52.17 -51.82 55.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 81' ' ' ILE . 16.0 t -58.19 -63.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 17.5 m-85 -42.18 -34.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -49.8 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.574 ' CD1' HG21 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -43.54 -71.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 96' ' ' MET . 85.2 mt -44.35 -51.32 8.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.09 -46.0 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.59 -37.32 65.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.7 mtm -79.2 170.74 16.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.71 151.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 101.01 -166.95 19.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -66.27 97.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -96.12 136.99 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.564 HG22 HG23 ' A' ' 28' ' ' ILE . 31.8 m -94.23 103.23 15.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.494 ' HB2' HG23 ' A' ' 29' ' ' VAL . 24.6 m-85 -85.31 116.4 23.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.555 HG11 ' CZ ' ' A' ' 21' ' ' TYR . 17.3 t -100.43 93.28 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -136.88 168.61 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.478 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.2 mt -116.62 131.29 23.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 117.0 4.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 108' ' ' SER . 29.6 t -82.92 69.29 9.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 107' ' ' SER . 1.5 t 85.61 -12.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.05 -118.71 6.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -36.19 2.69 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.1 p -174.29 168.45 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 52.6 m -74.21 123.31 24.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 p -105.79 107.98 19.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -151.18 151.17 31.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.37 100.85 0.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.76 119.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 110.044 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -158.82 116.3 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.63 87.35 1.78 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 68.37 5.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.08 150.79 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -94.63 157.01 16.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.365 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -151.95 92.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -78.79 59.51 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.591 ' HD2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -133.95 6.96 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 14' ' ' VAL . 22.4 m -111.81 87.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -107.63 172.84 6.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.31 -148.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -64.12 114.66 4.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.475 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 2.8 mp -95.31 140.6 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.76 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -52.13 -78.4 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.476 ' O ' ' CG ' ' A' ' 20' ' ' HIS . 8.9 p-80 -58.19 100.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 18' ' ' ILE . 1.3 m-30 -87.07 74.31 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.57 -64.32 2.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.18 -47.97 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -166.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.79 123.94 21.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 19' ' ' GLY . 12.9 m -105.37 140.82 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -97.33 119.41 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.596 HG23 HG23 ' A' ' 101' ' ' THR . 4.6 mp -93.56 130.87 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.626 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -137.83 117.78 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -92.16 109.29 20.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.242 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.425 ' HB ' ' CE1' ' A' ' 102' ' ' PHE . 53.0 mt -102.59 135.18 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.369 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -93.23 117.75 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' GLY . 34.2 mtpt -123.93 132.09 53.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.639 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -73.89 171.45 13.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 2.7 ttt180 -81.48 38.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 171.23 40.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.639 HG13 ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -122.26 129.42 25.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.46 27.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.506 HD22 HD12 ' A' ' 93' ' ' LEU . 24.9 tp -59.63 -44.35 93.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 63.95 33.77 88.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.62 120.3 9.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.1 m -85.59 150.08 24.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.756 HG12 HD13 ' A' ' 52' ' ' ILE . 3.8 m -148.46 138.96 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -104.39 149.41 25.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.56 ' ND2' ' O ' ' A' ' 84' ' ' LYS . 23.2 t30 -95.15 105.19 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.643 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.7 mm-40 -80.98 169.21 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.643 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.2 mmt -11.54 -65.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.5 m-20 -145.82 18.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 46' ' ' GLU . 48.8 m -133.91 136.84 44.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.826 HG13 ' HB ' ' A' ' 73' ' ' VAL . 1.9 p -93.11 110.39 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.763 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.5 mp -110.29 150.25 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.756 HD13 HG12 ' A' ' 43' ' ' VAL . 28.3 mm -60.03 148.3 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.06 -46.84 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 42' ' ' THR . 2.4 ttt180 -155.29 161.71 41.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 47.1 mm -123.47 120.34 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' GLY . 13.8 t -88.17 142.9 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -75.58 149.25 38.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.43 -1.85 69.53 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.42 152.77 36.3 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.53 -34.37 72.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -61.82 -60.17 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.18 -57.65 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -40.82 -68.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.0 p -53.85 -31.62 50.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.2 43.12 99.8 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 14.3 mt -115.97 9.31 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 mt -136.07 125.81 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.0 OUTLIER -133.21 154.29 50.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.91 126.92 29.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.71 -3.97 32.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -80.82 131.3 35.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 27.3 tt0 -96.82 130.38 44.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.826 ' HB ' HG13 ' A' ' 50' ' ' VAL . 35.0 t -101.3 140.04 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.465 HD21 ' HG2' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -128.31 -45.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.92 141.24 46.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.961 HG21 HD21 ' A' ' 93' ' ' LEU . 39.6 mt -128.97 107.62 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.458 ' OD1' HD23 ' A' ' 100' ' ' LEU . 0.0 OUTLIER 69.77 8.3 6.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.09 -24.56 11.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.162 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.65 126.66 32.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.06 140.94 50.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.844 HD13 HG22 ' A' ' 89' ' ' VAL . 1.1 mt -118.37 -39.33 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -31.47 110.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.12 16.87 36.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.56 ' O ' ' ND2' ' A' ' 45' ' ' ASN . 21.7 mttm -98.09 -170.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -127.64 150.91 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.564 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 15.8 m -46.8 -53.42 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -54.25 -47.84 71.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.67 ' O ' HD12 ' A' ' 92' ' ' LEU . 1.2 mt-10 -58.98 -47.24 85.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.844 HG22 HD13 ' A' ' 81' ' ' ILE . 72.8 t -60.78 -45.63 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 20.7 m-85 -63.34 -62.54 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -29.08 6.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -63.03 -70.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.961 HD21 HG21 ' A' ' 76' ' ' ILE . 75.4 mt -48.14 -48.46 34.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.25 -57.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -38.14 86.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.654 ' HE2' HD23 ' A' ' 93' ' ' LEU . 15.2 mtm -76.27 163.8 26.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.491 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -166.51 153.74 9.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 96.69 -167.0 24.14 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.6 m -65.82 106.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.515 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -105.07 135.67 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.596 HG23 HG23 ' A' ' 28' ' ' ILE . 4.9 m -89.83 101.83 14.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.626 ' HB2' HG23 ' A' ' 29' ' ' VAL . 71.0 m-85 -89.32 122.04 32.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.8 98.03 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -137.99 167.76 21.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.13 132.89 23.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 119.02 5.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -79.06 81.35 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.973 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -82.54 50.26 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -83.22 -77.63 1.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 95.17 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.13 134.6 50.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.2 t -90.96 138.98 31.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.055 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.59 138.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.35 147.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.46 155.17 9.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.7 147.67 26.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.31 96.86 2.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.33 159.52 32.37 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -166.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.809 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.56 128.08 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.9 m -83.58 161.18 21.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -155.51 100.14 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.562 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 6.3 pt-20 -113.11 28.75 8.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -115.49 -14.77 11.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.626 ' O ' ' C ' ' A' ' 15' ' ' TYR . 14.2 t -105.19 21.59 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.995 ' CB ' HD11 ' A' ' 18' ' ' ILE . 11.7 m-85 -13.13 119.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -141.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 p -63.56 114.38 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.995 HD11 ' CB ' ' A' ' 15' ' ' TYR . 3.3 mt -116.69 140.57 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.93 70.71 0.13 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER 178.68 51.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.563 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.91 80.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.05 91.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.26 63.65 1.3 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -165.17 169.86 15.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.14 122.08 26.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.807 HG12 HG12 ' A' ' 105' ' ' ILE . 0.6 OUTLIER -119.15 145.37 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -100.73 109.12 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.441 ' N ' HD12 ' A' ' 28' ' ' ILE . 4.2 mp -85.84 121.88 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -126.76 119.49 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -95.65 115.63 27.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.954 HG13 HD12 ' A' ' 66' ' ' LEU . 69.4 mt -115.3 138.62 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.13 133.32 44.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.595 ' HZ2' HD13 ' A' ' 39' ' ' LEU . 35.2 mtpt -134.13 146.29 50.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -75.92 171.55 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 5.2 ttt85 -81.04 30.09 0.33 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 34' ' ' ALA . 31.6 p-10 -179.57 36.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.488 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -117.03 127.25 26.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 140.25 25.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.595 HD13 ' HZ2' ' A' ' 33' ' ' LYS . 42.4 tp -59.11 -31.59 69.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.94 40.07 71.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -144.78 124.85 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -85.51 151.25 24.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.888 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -143.18 143.62 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -105.86 154.75 20.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -94.71 118.75 32.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.598 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.4 mm-40 -99.85 164.92 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mmm -19.36 -58.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' GLU . 15.2 m-20 -152.54 22.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.4 m -132.83 153.74 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.447 ' C ' HD12 ' A' ' 51' ' ' ILE . 60.5 t -107.43 104.68 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.594 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp -108.05 154.03 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.178 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.3 mm -67.84 147.74 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.69 -48.46 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 0.8 OUTLIER -150.11 162.86 39.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.415 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 42.2 mm -124.17 118.8 54.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -84.69 148.98 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.62 151.46 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.44 3.51 62.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.428 ' O ' ' CG ' ' A' ' 63' ' ' LYS . . . -84.77 150.57 25.44 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 33' ' ' LYS . . . -54.31 -45.75 72.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -53.76 -61.42 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' LYS . 10.8 tt0 -55.84 -52.18 64.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -39.31 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.4 p -57.2 -39.02 74.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.52 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 74.75 40.68 36.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.954 HD12 HG13 ' A' ' 31' ' ' ILE . 6.4 mt -104.38 -14.63 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.5 mm? -103.68 130.14 51.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.8 m80 -133.07 138.05 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -51.22 125.82 15.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.05 1.83 38.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.532 ' CG ' HD13 ' A' ' 104' ' ' LEU . 1.1 m-20 -84.02 128.54 34.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE1' HD11 ' A' ' 51' ' ' ILE . 24.1 tt0 -95.42 129.48 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.485 HG12 HG13 ' A' ' 81' ' ' ILE . 15.4 t -92.03 132.17 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -122.23 -46.92 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -142.92 142.23 31.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.57 HG22 ' HE1' ' A' ' 96' ' ' MET . 34.2 mt -135.61 102.17 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 1.4 t-20 85.99 -35.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.09 -25.67 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.495 ' H ' HD12 ' A' ' 79' ' ' ILE . 3.4 mp -74.8 150.19 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -81.78 148.41 28.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.491 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.6 mm -118.15 -41.47 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.25 107.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.18 -14.72 30.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -74.77 157.37 35.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.1 t0 -81.38 137.35 35.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.888 HG23 HG23 ' A' ' 43' ' ' VAL . 7.8 p -41.11 -45.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -44.39 84.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.2 mt-10 -49.01 -50.63 35.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.491 ' CG2' HG23 ' A' ' 81' ' ' ILE . 53.7 t -54.95 -51.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.657 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 14.4 m-85 -57.85 -37.14 73.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.79 -25.31 63.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -74.83 -65.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 102' ' ' PHE . 1.4 mm? -43.9 -60.46 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -38.09 -55.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.91 -42.95 90.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.57 ' HE1' HG22 ' A' ' 76' ' ' ILE . 7.4 mtm -73.43 160.66 31.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.453 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 1.9 p80 -161.44 150.09 15.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.628 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 97.51 -162.97 21.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.26 97.38 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 110.408 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -95.36 137.13 34.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -90.37 106.46 18.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 93' ' ' LEU . 58.3 m-85 -93.06 119.31 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -104.61 94.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.532 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -136.77 159.93 40.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.807 HG12 HG12 ' A' ' 26' ' ' VAL . 9.8 mt -108.96 130.17 23.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.82 5.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 109' ' ' GLY . 5.5 t -78.88 54.85 1.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.3 t 40.03 29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 107' ' ' SER . . . 44.66 89.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.88 5.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.4 149.06 37.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.92 126.51 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.955 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -85.57 146.86 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.422 0.719 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.91 -55.99 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.77 -144.59 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 7' ' ' GLY . 67.8 p -174.68 179.01 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.17 -82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 124.36 150.85 7.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 102.78 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mm -81.86 128.48 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.0 m -127.49 162.42 26.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.421 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.99 112.59 24.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 6.1 pt-20 -175.7 119.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' O ' ' HB ' ' A' ' 14' ' ' VAL . 4.0 mtp180 54.58 88.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' C ' ' A' ' 15' ' ' TYR . 9.7 p 178.98 -28.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.488 ' HB2' HD11 ' A' ' 18' ' ' ILE . 51.9 m-85 -30.74 145.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.52 -145.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.27 101.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 15' ' ' TYR . 2.9 mt -89.97 141.32 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.653 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -49.58 -78.35 0.1 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -48.22 97.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.612 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.578 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 1.3 m-30 -90.17 33.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.06 -83.21 0.35 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.26 -37.72 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -169.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.2 123.19 20.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.403 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.661 HG12 ' CG1' ' A' ' 105' ' ' ILE . 6.2 m -108.21 148.22 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -108.5 115.42 30.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.53 142.31 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -147.92 122.44 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 1.4 mtt180 -97.66 112.99 24.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.682 HD11 ' HB2' ' A' ' 66' ' ' LEU . 83.3 mt -108.4 138.35 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.19 118.54 32.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 98' ' ' GLY . 8.0 mtpm? -124.32 122.86 38.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.541 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -63.63 169.69 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -75.7 0.6 17.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -144.62 28.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.541 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -115.85 126.17 27.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 162.67 36.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.3 tp -72.38 -41.4 66.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.63 38.59 93.96 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.18 117.41 8.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.794 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -86.39 152.15 22.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.679 HG12 HD13 ' A' ' 52' ' ' ILE . 4.3 m -135.21 157.17 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -109.63 158.22 18.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.72 107.04 19.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.2 mm-40 -94.11 164.83 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.572 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.9 mmm -21.21 -57.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -155.98 25.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.6 m -132.68 153.24 51.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.3 t -103.95 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.8 mp -101.56 150.12 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.679 HD13 HG12 ' A' ' 43' ' ' VAL . 13.0 mm -66.48 145.68 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 p -117.44 -50.27 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 9.2 ttt180 -142.5 161.91 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 34.8 mm -125.98 117.98 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.77 145.85 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 137.41 36.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.67 -6.16 83.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.57 141.52 26.71 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.53 -35.8 9.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -59.56 -53.39 58.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.15 -55.83 21.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -40.35 -64.93 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 p -61.63 -42.36 98.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.77 43.9 26.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.682 ' HB2' HD11 ' A' ' 31' ' ' ILE . 28.8 mt -111.04 -0.65 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.614 ' CD2' HD21 ' A' ' 104' ' ' LEU . 7.8 mt -129.76 123.75 31.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -134.59 155.67 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -58.0 112.85 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.59 40.31 0.94 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -130.81 120.18 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 23.3 tt0 -86.28 134.6 33.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.727 HG11 HD11 ' A' ' 76' ' ' ILE . 14.3 t -99.16 138.5 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.646 HD11 HD11 ' A' ' 105' ' ' ILE . 45.8 mt -121.24 -53.49 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -136.73 147.85 46.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.727 HD11 HG11 ' A' ' 73' ' ' VAL . 60.8 mt -140.91 105.69 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 69.91 9.63 7.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.63 -29.3 6.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.595 HG21 HD21 ' A' ' 92' ' ' LEU . 3.6 mp -73.92 138.45 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.05 165.31 25.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.544 HG23 ' CG2' ' A' ' 89' ' ' VAL . 4.8 mm -135.25 -46.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.25 116.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.65 -40.8 2.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -48.84 149.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 8.1 t70 -79.54 158.18 27.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.469 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 20.5 m -53.84 -46.32 63.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.12 -47.96 83.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -51.53 42.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.544 ' CG2' HG23 ' A' ' 81' ' ' ILE . 37.4 t -58.85 -55.08 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.618 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 20.3 m-85 -53.39 -43.09 67.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.71 -30.51 70.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.595 HD21 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -66.13 -68.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.5 mm? -45.54 -60.54 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 t -38.99 -47.94 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.74 -44.67 89.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 93' ' ' LEU . 15.4 mtm -76.26 165.2 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.11 151.34 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 99.62 -168.99 21.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.9 m -65.65 99.62 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 0.735 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -98.37 137.39 37.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.2 m -89.16 99.59 12.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.472 ' HB2' HG23 ' A' ' 29' ' ' VAL . 65.8 m-85 -86.69 117.59 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.578 HG11 ' CZ ' ' A' ' 21' ' ' TYR . 4.1 t -107.28 94.13 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.614 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -133.86 158.79 42.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.661 ' CG1' HG12 ' A' ' 26' ' ' VAL . 2.5 mt -107.38 132.2 21.14 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -74.97 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 108' ' ' SER . 0.1 OUTLIER -90.58 37.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 107' ' ' SER . 1.5 t 87.71 -18.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.961 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 109' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 108' ' ' SER . . . 42.93 -167.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.138 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.3 p -105.34 154.27 20.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.9 m -103.22 141.3 36.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -48.34 -57.5 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 p -141.19 103.04 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -167.23 37.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 m -145.04 85.21 1.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 0.735 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.11 -57.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.21 87.03 1.4 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -163.43 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.798 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.3 mt -83.7 136.52 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.5 m -50.99 154.51 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.438 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -143.55 103.29 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.09 63.55 5.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -147.72 19.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.709 ' O ' HG12 ' A' ' 14' ' ' VAL . 65.7 t -131.43 19.03 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.377 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.618 ' HB2' HD11 ' A' ' 18' ' ' ILE . 90.5 m-85 -30.29 141.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.43 -142.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 p -67.13 107.72 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.678 HG22 ' N ' ' A' ' 19' ' ' GLY . 2.7 mp -89.45 -105.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.678 ' N ' HG22 ' A' ' 18' ' ' ILE . . . -169.12 -39.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' GLU . 28.1 m170 -102.57 -16.38 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.411 ' CD1' HG21 ' A' ' 26' ' ' VAL . 6.2 m-85 39.48 65.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.43 173.33 49.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.85 -26.1 0.73 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -75.14 -175.62 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.787 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.08 115.44 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.919 HG12 ' CG1' ' A' ' 105' ' ' ILE . 33.1 m -94.36 155.3 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -114.03 108.02 16.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.942 HG12 HG22 ' A' ' 103' ' ' VAL . 39.9 mt -81.66 127.39 39.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.1 119.85 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HB3' HG22 ' A' ' 99' ' ' THR . 93.9 mtt180 -93.0 113.73 26.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.84 HD11 ' HB2' ' A' ' 66' ' ' LEU . 36.1 mt -113.11 149.79 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -96.64 120.37 36.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.662 ' CB ' HD11 ' A' ' 100' ' ' LEU . 4.8 tttt -122.25 118.05 27.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.657 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -62.69 170.05 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -78.88 5.29 11.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -152.4 25.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.657 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -108.32 124.13 35.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.61 29.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.11 -54.67 36.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.43 37.69 40.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.69 122.7 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -85.8 154.43 21.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.981 HG23 HG22 ' A' ' 86' ' ' VAL . 13.9 m -138.61 156.39 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 13.9 mtp-105 -104.07 173.66 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.45 98.58 7.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.8 OUTLIER -87.42 164.65 16.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.557 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.3 mmm -22.77 -58.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -153.4 23.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.2 m -132.54 153.51 50.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.4 t -105.75 107.44 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.2 mp -106.99 153.01 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.638 HD13 HG12 ' A' ' 43' ' ' VAL . 31.2 mm -65.99 141.42 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.503 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 3.2 p -112.59 -42.7 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.957 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 1.2 ttt-85 -158.66 162.85 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.459 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 44.8 mm -121.85 121.36 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 t -85.87 146.59 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -78.66 150.01 32.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' CE ' ' A' ' 63' ' ' LYS . . . 74.31 3.48 65.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.53 149.76 24.99 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.74 -26.37 61.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -73.7 -55.39 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 13.0 tt0 -61.02 -54.65 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' GLU . 16.2 mttt -39.77 -63.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.2 p -64.82 -31.2 72.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.89 36.56 93.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.84 ' HB2' HD11 ' A' ' 31' ' ' ILE . 16.7 mt -96.23 -13.84 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.626 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.5 mm? -104.01 132.72 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -133.38 135.57 44.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.591 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 57.7 mt-10 -52.01 134.49 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.47 10.26 57.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.59 132.22 40.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.746 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 36.6 tt0 -99.41 137.66 37.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.854 ' C ' HD13 ' A' ' 74' ' ' LEU . 12.5 t -103.93 142.79 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.854 HD13 ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -126.19 -45.36 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -142.86 142.23 31.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.567 HD11 HG11 ' A' ' 73' ' ' VAL . 28.0 mt -136.74 109.0 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 70.0 18.03 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.65 -24.06 32.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 111.05 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.645 HG21 ' CD2' ' A' ' 92' ' ' LEU . 2.9 mp -71.59 137.22 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -73.44 144.76 46.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.572 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.1 mm -117.77 -42.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.7 122.84 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.09 -43.41 1.85 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 85' ' ' ASP . 34.6 mttm -53.82 131.37 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.9 t70 -55.56 -166.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.981 HG22 HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -85.44 -43.87 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -40.81 84.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 92' ' ' LEU . 3.9 mm-40 -52.98 -42.72 65.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.572 ' CG2' HG23 ' A' ' 81' ' ' ILE . 3.0 t -62.82 -46.9 95.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.672 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 13.8 m-85 -61.84 -38.1 86.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.5 -27.5 67.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.645 ' CD2' HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -69.18 -64.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.0 OUTLIER -48.08 -59.45 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.54 -47.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.14 -43.47 82.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 93' ' ' LEU . 16.0 mtm -74.95 165.32 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.1 161.98 31.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.569 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.34 -162.03 31.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.2 m -70.55 97.52 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.662 HD11 ' CB ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -91.72 136.83 32.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.508 HG23 HG23 ' A' ' 28' ' ' ILE . 18.5 m -92.22 99.69 12.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -84.82 116.72 23.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.942 HG22 HG12 ' A' ' 28' ' ' ILE . 9.4 t -106.92 100.21 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -142.46 161.96 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.919 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.2 mt -107.54 123.82 36.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 117.85 5.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.461 1.769 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 108' ' ' SER . 2.8 t -72.22 62.58 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 108' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 107' ' ' SER . 1.7 t 85.09 -10.21 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.78 161.21 0.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 111' ' ' SER . 18.3 Cg_endo -75.02 113.97 3.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER 78.28 138.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.92 93.02 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.09 155.89 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.015 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -167.56 150.55 6.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.68 -174.17 13.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -168.7 170.76 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -155.08 164.12 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.04 -144.75 3.98 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 97.63 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 10' ' ' THR . 71.8 mt -106.08 159.55 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 6.3 m 56.92 163.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' ARG . 1.6 m-20 -111.5 105.36 13.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.62 59.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -146.91 15.58 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.596 ' O ' HG12 ' A' ' 14' ' ' VAL . 61.4 t -110.68 20.7 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -45.15 170.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -100.45 -158.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -52.47 107.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.601 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -93.07 155.38 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.667 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -60.17 -61.73 6.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.135 . . . . 0.0 111.045 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -62.38 100.72 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.576 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 18' ' ' ILE . 1.3 m-30 -102.8 76.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.87 -71.59 2.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.76 -46.38 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.36 -168.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.61 122.99 18.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 19' ' ' GLY . 12.7 m -106.65 152.1 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -104.53 122.62 45.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.589 HG23 HG22 ' A' ' 101' ' ' THR . 5.3 mp -95.21 132.12 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.552 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -140.51 120.52 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -96.15 110.62 22.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.686 ' CG1' HD12 ' A' ' 66' ' ' LEU . 78.7 mt -102.36 139.63 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -92.21 103.79 16.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 98' ' ' GLY . 7.9 tttt -105.18 125.23 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . -95.88 133.75 39.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -56.72 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 36' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 35' ' ' ARG . 1.4 m-20 152.69 -23.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -89.64 131.08 40.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 174.33 12.97 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' LEU . . . . . 0.6 HD22 HD12 ' A' ' 93' ' ' LEU . 3.4 tp -78.62 -58.58 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 73.29 31.74 60.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' ALA . . . . . 0.69 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -146.28 118.48 8.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -85.34 150.15 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.453 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.692 HG12 HD13 ' A' ' 52' ' ' ILE . 4.1 m -143.8 138.55 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.33 146.0 29.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ASN . . . . . 0.515 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -95.28 104.99 16.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.644 ' HB2' HD13 ' A' ' 51' ' ' ILE . 1.1 mm-40 -79.67 171.44 15.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.637 ' C ' ' O ' ' A' ' 46' ' ' GLU . 6.1 mmt -11.14 -63.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 48' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 46' ' ' GLU . 66.9 m-20 -149.69 19.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 49' ' ' SER . . . . . 0.53 ' HB3' HD11 ' A' ' 51' ' ' ILE . 3.9 m -134.55 133.87 40.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . 0.832 ' C ' HD12 ' A' ' 51' ' ' ILE . 1.7 p -88.78 114.92 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.832 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.8 mp -116.96 147.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.692 HD13 HG12 ' A' ' 43' ' ' VAL . 44.1 mm -58.26 141.78 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.91 -47.82 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -150.09 161.47 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.451 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 49.7 mm -127.18 120.78 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' GLY . 15.1 t -90.2 150.82 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -76.28 149.23 37.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.67 -0.6 60.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -80.77 131.71 10.66 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.44 -38.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' ALA . . . . . 0.69 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -61.96 -54.33 43.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' GLY . 11.1 tt0 -61.1 -58.21 9.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -41.73 -65.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -59.6 -27.41 66.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 58.05 43.11 95.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.686 HD12 ' CG1' ' A' ' 31' ' ' ILE . 27.6 mt -104.68 -15.19 15.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.684 ' CD2' HD11 ' A' ' 31' ' ' ILE . 3.2 mm? -105.73 131.96 52.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -133.49 136.35 45.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -49.19 122.03 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 51' ' ' ILE . . . 107.17 -1.54 35.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 1.1 m-20 -79.3 124.95 28.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 28.8 tt0 -91.05 131.26 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.657 ' HB ' HG13 ' A' ' 50' ' ' VAL . 19.3 t -99.99 138.39 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD11 HD11 ' A' ' 105' ' ' ILE . 9.8 mt -126.25 -43.67 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -142.58 135.95 28.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.815 HG21 HD21 ' A' ' 93' ' ' LEU . 10.4 mt -122.5 102.11 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 0.1 OUTLIER 86.23 -37.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.986 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.91 -26.09 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.532 ' H ' HD12 ' A' ' 79' ' ' ILE . 3.2 mp -75.79 144.63 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 155.86 22.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.93 HD13 HG22 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -134.73 -56.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -42.73 121.53 2.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.2 -30.66 9.93 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' LYS . . . . . 0.556 ' HE3' HD11 ' A' ' 92' ' ' LEU . 9.8 mttp -64.21 159.19 21.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASP . . . . . 0.425 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 20.5 t0 -85.63 158.82 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.583 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 10.4 m -53.4 -47.06 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.54 -45.65 88.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 92' ' ' LEU . 7.1 mm-40 -61.64 -53.3 57.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.93 HG22 HD13 ' A' ' 81' ' ' ILE . 39.2 t -54.09 -37.12 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.614 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 15.6 m-85 -74.85 -67.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.07 -29.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.556 HD11 ' HE3' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -57.38 -66.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.815 HD21 HG21 ' A' ' 76' ' ' ILE . 83.6 mt -49.33 -46.0 46.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.72 -56.32 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -40.22 95.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.598 ' HE2' HD23 ' A' ' 93' ' ' LEU . 20.0 mtm -77.67 176.32 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 35' ' ' ARG . 1.1 p80 -177.96 177.23 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.611 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 75.52 -165.82 54.51 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.8 m -65.67 97.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.18 134.01 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.589 HG22 HG23 ' A' ' 28' ' ' ILE . 43.9 m -89.35 112.68 23.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.438 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.552 ' HB2' HG23 ' A' ' 29' ' ' VAL . 45.6 m-85 -95.22 121.46 36.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.99 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD21 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -136.73 157.77 46.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.65 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.1 mt -102.86 128.65 27.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.67 5.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.6 t -84.33 79.63 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.04 54.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.94 99.27 1.55 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.96 130.65 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.5 m -92.89 140.16 29.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.95 161.81 22.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.004 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 m -94.44 160.95 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.7 164.82 20.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -124.21 128.71 49.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -102.1 73.32 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.25 -154.13 29.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 91.28 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.9 mt -92.12 138.73 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -76.28 -168.12 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.36 -142.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.5 tt0 -146.74 99.63 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' CG ' ' C ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 51.08 22.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . 0.667 ' O ' HG12 ' A' ' 14' ' ' VAL . 87.6 t -130.66 16.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' A' ' 10' ' ' THR . 85.6 m-85 -45.45 150.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 18' ' ' ILE . 1.4 mp0 -84.75 -145.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.4 p -58.34 113.03 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' ILE . . . . . 0.531 HD12 ' O ' ' A' ' 16' ' ' GLU . 2.7 mp -104.44 141.48 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' GLY . . . . . 0.469 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -90.37 81.73 1.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -172.15 -49.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' CD1' HG21 ' A' ' 26' ' ' VAL . 6.3 m-85 37.24 81.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' TYR . . . -36.84 143.85 0.14 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.26 -64.52 3.8 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.01 -176.14 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.93 121.18 20.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' VAL . . . . . 0.607 HG12 HD12 ' A' ' 74' ' ' LEU . 12.8 m -103.0 140.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -105.98 111.43 24.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ILE . . . . . 0.606 HG23 HG23 ' A' ' 101' ' ' THR . 4.3 mp -83.78 140.54 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' VAL . . . . . 0.623 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -139.7 117.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -82.8 101.68 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.591 HG12 HD23 ' A' ' 66' ' ' LEU . 55.2 mt -99.19 134.37 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.71 111.57 23.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLY . 0.7 OUTLIER -116.97 144.8 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . 0.618 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -91.74 171.58 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -85.25 25.76 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -172.76 34.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ILE . . . . . 0.618 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -114.78 130.5 24.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.85 25.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.34 -56.0 27.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' GLY . . . . . 0.41 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 65.56 42.09 95.79 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.16 . . . . 0.0 111.034 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.09 121.13 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.2 m -89.86 146.85 24.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 HD13 ' A' ' 52' ' ' ILE . 3.8 m -139.91 152.47 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' CG ' ' CB ' ' A' ' 53' ' ' SER . 33.5 mtp180 -101.84 172.3 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 -109.94 98.27 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.0 OUTLIER -81.49 164.6 21.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 47' ' ' MET . . . . . 0.559 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.6 mmt -22.76 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -151.19 22.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.4 m -132.34 153.89 50.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.1 t -106.08 100.3 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 2.7 mp -99.38 151.8 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ILE . . . . . 0.572 HD13 HG12 ' A' ' 43' ' ' VAL . 13.8 mm -67.66 145.82 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' SER . . . . . 0.424 ' CB ' ' CG ' ' A' ' 44' ' ' ARG . 1.2 p -115.4 -45.8 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -157.24 160.96 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 45.8 mm -121.88 121.92 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 13.0 t -82.36 136.74 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.33 112.69 19.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.74 -31.38 3.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.83 -178.92 10.27 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' A' ' 64' ' ' SER . . . -73.27 -46.73 48.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.11 -49.52 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -47.14 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -39.42 -66.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 64' ' ' SER . . . . . 0.855 ' O ' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -44.62 -46.2 9.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.25 12.98 26.53 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' LEU . . . . . 0.855 HD22 ' O ' ' A' ' 64' ' ' SER . 2.1 mm? -75.72 -22.19 56.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LEU . . . . . 0.79 HD23 HD21 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -103.53 132.99 49.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -134.63 142.75 46.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.653 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -49.65 120.65 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.79 -2.66 25.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -83.69 135.59 34.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 35.4 tt0 -101.04 133.34 45.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 73' ' ' VAL . . . . . 0.578 ' CG1' HG21 ' A' ' 81' ' ' ILE . 21.9 t -91.84 136.12 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LEU . . . . . 0.607 HD12 HG12 ' A' ' 26' ' ' VAL . 48.2 mt -122.37 -47.75 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt-10 -149.08 144.07 26.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ILE . . . . . 0.749 HG21 HD21 ' A' ' 93' ' ' LEU . 33.8 mt -135.44 104.89 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.51 4.45 4.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.76 -24.59 8.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 3.2 mp -71.25 139.21 20.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.84 148.05 40.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . 0.578 HG21 ' CG1' ' A' ' 73' ' ' VAL . 2.7 mm -124.24 -44.81 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 106.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.59 -26.44 9.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.57 1.169 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -64.11 -172.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -120.65 161.8 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.372 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' VAL . . . . . 0.572 HG12 HG23 ' A' ' 43' ' ' VAL . 35.5 m -54.23 -50.16 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ASN . . . . . 0.473 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -56.67 -47.64 79.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 88' ' ' GLU . . . . . 0.547 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -58.3 -51.91 67.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.565 HG22 HG23 ' A' ' 81' ' ' ILE . 38.8 t -56.08 -43.74 76.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' PHE . . . . . 0.522 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 21.2 m-85 -66.17 -60.75 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.9 -33.03 22.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -58.85 -71.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 93' ' ' LEU . . . . . 0.749 HD21 HG21 ' A' ' 76' ' ' ILE . 52.4 mt -48.52 -52.08 24.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.23 -50.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.54 -42.42 91.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 93' ' ' LEU . 20.4 mtm -76.34 167.31 22.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -165.93 166.64 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 85.27 -166.85 40.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 99' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 21.9 m -65.67 97.53 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 149.96 20.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' THR . . . . . 0.606 HG23 HG23 ' A' ' 28' ' ' ILE . 53.4 m -104.6 100.36 10.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' PHE . . . . . 0.623 ' HB2' HG23 ' A' ' 29' ' ' VAL . 51.2 m-85 -87.42 121.67 30.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 103' ' ' VAL . . . . . 0.578 HG22 HG13 ' A' ' 28' ' ' ILE . 62.1 t -107.3 94.82 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' LEU . . . . . 0.79 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -136.22 164.18 28.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ILE . . . . . 0.409 HD11 HD11 ' A' ' 74' ' ' LEU . 16.0 mt -112.02 130.33 23.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 118.84 5.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.6 t -80.9 79.18 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -79.13 53.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.62 78.99 0.34 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.435 1.084 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 104.19 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.5 -58.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.3 m -77.16 140.83 40.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 -179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.312 0 N-CA-C 110.305 -0.257 . . . . 0.0 110.305 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.14 123.07 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.8 m -107.73 149.24 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -106.61 124.62 49.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 101' ' ' THR . 5.1 mp -98.37 133.49 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.595 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -141.72 118.08 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -89.97 113.5 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.714 ' CG1' HD12 ' A' ' 66' ' ' LEU . 25.9 mt -109.65 135.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -94.19 118.9 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 98' ' ' GLY . 8.5 mtpm? -123.31 118.96 28.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.63 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -60.05 170.03 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -74.26 -0.71 17.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -147.49 33.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.63 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mm -117.8 126.47 27.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.34 37.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.714 HD22 ' CD1' ' A' ' 93' ' ' LEU . 35.1 tp -71.85 -51.15 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.79 37.01 61.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -144.52 120.76 10.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.769 . . . . 0.0 109.239 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.0 m -86.09 150.62 24.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.538 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 3.2 m -142.17 143.83 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.83 165.89 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.22 99.63 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.586 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.4 OUTLIER -80.9 164.71 22.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.586 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.3 mmt -19.26 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -153.58 23.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.2 m -132.99 153.52 51.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.45 HG11 HG21 ' A' ' 89' ' ' VAL . 63.1 t -101.37 97.08 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.9 mp -99.79 157.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.515 HD13 HG12 ' A' ' 43' ' ' VAL . 13.2 mm -70.31 145.65 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.99 -45.92 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.477 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -155.08 161.5 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 54' ' ' ARG . 36.9 mm -121.28 124.89 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -89.33 146.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -77.79 150.62 34.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.86 5.76 62.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.74 152.4 24.92 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.37 65.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -66.54 -57.64 6.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.62 -54.66 42.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -40.18 -67.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.6 p -58.24 -36.36 73.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.84 44.88 88.03 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.714 HD12 ' CG1' ' A' ' 31' ' ' ILE . 7.9 mt -115.47 1.17 13.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.592 ' CD2' HD21 ' A' ' 104' ' ' LEU . 8.1 mt -127.24 127.97 45.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -133.65 156.05 48.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.93 124.35 20.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.85 -11.69 22.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.695 ' CG ' HD13 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -71.3 136.42 47.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 21.8 tt0 -104.31 124.17 48.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.439 ' CG1' HG21 ' A' ' 81' ' ' ILE . 18.6 t -86.81 134.05 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -122.03 -56.15 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.2 tt0 -137.62 142.35 41.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.726 HG21 HD21 ' A' ' 93' ' ' LEU . 19.3 mt -133.93 103.12 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 0.9 OUTLIER 77.05 1.23 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 121.49 -25.67 6.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 3.3 mp -72.12 138.17 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.81 152.93 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.581 ' CD1' HG22 ' A' ' 89' ' ' VAL . 3.0 mm -126.55 -44.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 114.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.78 -31.52 8.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -56.97 178.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -112.42 154.9 25.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.518 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 27.0 m -49.9 -49.37 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -57.28 -47.65 80.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -56.68 -51.74 67.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.581 HG22 ' CD1' ' A' ' 81' ' ' ILE . 23.6 t -57.05 -45.6 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 20.1 m-85 -64.67 -46.63 81.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -26.79 68.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -69.66 -69.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.726 HD21 HG21 ' A' ' 76' ' ' ILE . 62.9 mt -48.47 -56.93 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.9 t -41.75 -40.78 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.95 -41.92 63.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' LEU . 20.8 mtm -77.81 162.42 26.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.18 148.36 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 103.32 -170.09 19.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -67.17 102.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -100.39 136.82 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.459 HG23 ' CG2' ' A' ' 28' ' ' ILE . 54.9 m -88.08 99.93 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.455 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.595 ' HB2' HG23 ' A' ' 29' ' ' VAL . 60.0 m-85 -87.11 116.92 25.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.51 94.8 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.695 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -134.03 161.91 33.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.8 mt -105.19 128.84 25.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.96 5.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t . . . . . 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.995 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 . . . . . 0 N--CA 1.453 -0.3 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.49 127.64 26.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.543 HG12 ' CG1' ' A' ' 105' ' ' ILE . 34.0 m -112.91 149.6 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -113.54 110.68 20.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.782 HG12 HG22 ' A' ' 103' ' ' VAL . 65.3 mt -83.17 132.06 32.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -134.02 118.63 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -88.38 108.83 19.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.784 HD11 ' HB2' ' A' ' 66' ' ' LEU . 69.2 mt -105.17 137.52 34.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -87.88 129.38 35.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.619 ' HB3' HD11 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -131.27 135.5 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -80.87 170.11 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 6.8 ttt180 -79.88 5.63 13.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -154.68 35.13 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -117.43 125.43 28.14 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.89 14.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 1.1 tp -41.3 -58.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.75 36.13 33.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.31 121.45 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -87.55 156.34 19.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.744 HG23 HG12 ' A' ' 86' ' ' VAL . 2.0 m -139.59 154.76 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.88 166.07 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.9 98.03 8.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.3 mm-40 -82.32 164.84 20.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.565 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.2 mmt -22.31 -58.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -152.31 23.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.5 m -132.42 153.3 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.492 ' C ' HD12 ' A' ' 51' ' ' ILE . 61.3 t -102.27 92.79 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.602 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.6 mp -97.45 154.11 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mm -63.62 150.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.6 p -121.19 -44.05 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 15.9 ttt180 -153.4 160.96 42.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 62' ' ' GLU . 28.0 mm -123.84 118.0 52.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.4 t -81.68 148.18 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.147 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -75.16 152.92 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.04 9.82 43.17 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.03 131.58 10.49 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.563 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . . . -40.76 -35.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -68.06 -57.2 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 4.7 tt0 -53.47 -57.27 11.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -39.61 -66.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.418 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 9.8 p -59.64 -28.3 67.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 59.84 19.02 48.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.784 ' HB2' HD11 ' A' ' 31' ' ' ILE . 33.2 mt -79.74 -9.54 59.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.81 ' CD2' HD21 ' A' ' 104' ' ' LEU . 4.5 mt -122.63 128.82 51.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -133.39 149.93 51.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -52.61 130.41 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.82 -15.62 31.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.792 ' CG ' HD13 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -66.05 143.27 57.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.592 ' HG2' HD21 ' A' ' 74' ' ' LEU . 23.6 tt0 -110.05 117.77 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.501 HG12 HG13 ' A' ' 81' ' ' ILE . 11.6 t -83.22 132.5 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.672 HD22 ' NH1' ' A' ' 82' ' ' ARG . 23.9 mt -124.57 -52.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -136.0 144.31 45.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG11 ' A' ' 73' ' ' VAL . 51.6 mt -140.37 102.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.52 21.82 5.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.83 -29.38 12.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.49 HG21 ' CD2' ' A' ' 92' ' ' LEU . 4.4 mp -71.04 132.77 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.73 158.6 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.531 ' CD1' HG22 ' A' ' 89' ' ' VAL . 3.0 mm -130.02 -47.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.672 ' NH1' HD22 ' A' ' 74' ' ' LEU . 2.5 ttt85 -38.15 122.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.75 -41.46 2.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -46.58 165.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -97.78 159.4 14.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.744 HG12 HG23 ' A' ' 43' ' ' VAL . 26.8 m -56.19 -51.95 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.491 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -56.6 -47.15 80.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.559 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.0 mm-40 -53.7 -50.51 65.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.358 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.531 HG22 ' CD1' ' A' ' 81' ' ' ILE . 5.5 t -59.0 -53.65 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -53.7 -40.12 65.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -67.45 -30.76 70.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -68.84 -67.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.8 mm? -42.86 -61.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.19 -56.69 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.28 -40.62 74.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.7 mtm -79.32 162.59 25.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.69 160.05 25.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.597 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 92.65 -162.08 26.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 m -69.79 97.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -91.26 137.85 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.5 m -93.49 99.39 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.442 ' HB2' HG23 ' A' ' 29' ' ' VAL . 73.6 m-85 -87.23 116.57 25.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.782 HG22 HG12 ' A' ' 28' ' ' ILE . 5.1 t -108.04 94.39 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.81 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -137.07 165.5 25.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.543 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.8 mt -107.17 127.1 28.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 t . . . . . 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 -179.979 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.303 -0.258 . . . . 0.0 110.303 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.85 124.75 16.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.69 ' HB ' HG12 ' A' ' 103' ' ' VAL . 3.0 m -110.12 142.53 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -98.42 119.58 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 HG23 ' A' ' 101' ' ' THR . 4.7 mp -91.89 117.5 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.554 HG12 HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -121.24 117.72 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HB3' HG22 ' A' ' 99' ' ' THR . 16.8 mtt180 -93.7 111.06 22.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.78 ' CG1' HD12 ' A' ' 66' ' ' LEU . 91.9 mt -107.34 140.99 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -96.45 118.72 33.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HB2' HD11 ' A' ' 100' ' ' LEU . 24.6 mtpt -124.5 133.78 53.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -73.69 172.29 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -82.05 19.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -166.71 31.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.459 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -116.34 127.48 26.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.52 38.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.31 -56.84 11.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.429 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 75.5 37.4 41.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -143.71 117.89 9.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -85.85 151.52 23.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.491 HG23 HG12 ' A' ' 86' ' ' VAL . 2.5 m -135.62 151.91 30.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -108.3 162.47 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -96.58 122.92 40.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.594 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.9 mm-40 -110.31 164.84 12.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.594 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.8 mmt -18.76 -58.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' GLU . 24.6 m-20 -155.54 24.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.4 m -133.38 153.62 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -104.22 97.12 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 46' ' ' GLU . 2.7 mp -96.94 158.29 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.4 mm -69.88 146.13 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 p -117.35 -43.76 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 9.8 ttt180 -154.71 161.7 41.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.417 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 45.2 mm -123.14 119.88 58.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.429 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 5.5 t -83.63 145.65 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 146.91 33.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.45 -4.17 69.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.69 152.37 44.29 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.63 -25.14 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -73.33 -53.14 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' LYS . 11.0 tt0 -57.55 -58.87 6.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 10.0 mttm -39.85 -66.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -57.54 -32.98 67.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.32 44.13 97.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.78 HD12 ' CG1' ' A' ' 31' ' ' ILE . 32.1 mt -104.77 -11.3 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.619 ' CD2' HD11 ' A' ' 31' ' ' ILE . 3.3 mm? -109.75 128.14 55.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -133.52 132.33 40.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -43.95 121.93 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.244 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.05 -9.36 25.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.605 ' CG ' HD13 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -73.47 135.41 44.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 0.737 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.6 tt0 -104.5 128.38 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.499 ' CG1' HG21 ' A' ' 81' ' ' ILE . 19.0 t -90.09 138.85 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.489 HD12 ' CG1' ' A' ' 26' ' ' VAL . 32.5 mt -125.71 -53.38 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -139.86 146.29 39.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.468 HG22 ' HE1' ' A' ' 96' ' ' MET . 55.8 mt -138.89 114.4 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.406 ' OD1' ' HA ' ' A' ' 100' ' ' LEU . 7.5 m-20 60.78 21.34 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.87 -27.05 22.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 79' ' ' ILE . 4.8 mp -70.98 136.33 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.31 153.88 40.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.575 ' CD1' HG22 ' A' ' 89' ' ' VAL . 2.0 mm -128.84 -45.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -42.21 116.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.16 -36.47 4.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' ILE . 44.8 mttm -51.19 167.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.34 160.39 14.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.544 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 21.7 m -55.04 -51.07 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.503 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -57.39 -46.89 82.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -55.04 -49.92 70.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.242 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.575 HG22 ' CD1' ' A' ' 81' ' ' ILE . 3.9 t -60.54 -55.53 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.544 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 22.6 m-85 -52.02 -46.37 64.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -33.24 75.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -64.79 -67.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.5 mm? -44.25 -60.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -38.13 -54.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.21 -44.44 88.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.468 ' HE1' HG22 ' A' ' 76' ' ' ILE . 10.7 mtm -75.78 161.98 28.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.44 155.83 22.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.596 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 97.4 -163.47 21.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.455 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.0 m -69.96 97.63 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.521 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -94.69 135.85 35.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.884 HG23 HG23 ' A' ' 28' ' ' ILE . 1.2 m -91.27 105.08 17.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.406 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 70.8 m-85 -93.02 118.84 31.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.69 HG12 ' HB ' ' A' ' 26' ' ' VAL . 3.0 t -107.09 94.57 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.605 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -134.39 157.42 46.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.0 mt -102.16 129.07 27.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 118.14 5.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t . . . . . 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.995 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.311 -0.255 . . . . 0.0 110.311 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.39 125.23 15.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 6.7 m -112.3 137.84 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -103.19 111.85 24.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 101' ' ' THR . 5.1 mp -82.03 130.9 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.79 121.68 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -98.1 123.91 42.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.727 HG13 HD12 ' A' ' 66' ' ' LEU . 2.7 mt -114.53 132.77 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -88.17 110.12 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HB2' HD11 ' A' ' 100' ' ' LEU . 16.8 mtpt -115.02 154.2 29.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -102.08 172.07 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HA ' ' CG ' ' A' ' 97' ' ' HIS . 26.7 mtm180 -84.75 29.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.13 33.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.441 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -122.67 126.92 25.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 145.43 31.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.8 tp -61.56 -56.27 21.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.462 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 72.43 38.39 58.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.28 117.21 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -86.94 153.81 21.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.44 146.2 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.18 164.86 11.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -97.28 122.86 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.598 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.4 mm-40 -107.46 165.35 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -18.37 -58.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.4 m-20 -156.81 24.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.401 ' HB3' HD11 ' A' ' 51' ' ' ILE . 12.8 m -134.12 153.44 51.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.956 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.718 ' C ' HD12 ' A' ' 51' ' ' ILE . 98.2 t -103.42 103.3 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.718 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.4 mp -105.58 156.61 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 55' ' ' ILE . 29.9 mm -69.56 145.51 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.15 -46.63 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.48 ' O ' HD13 ' A' ' 55' ' ' ILE . 6.0 ttt180 -148.2 163.16 37.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.48 HD13 ' O ' ' A' ' 54' ' ' ARG . 44.4 mm -126.68 119.31 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.462 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 9.6 t -84.06 148.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -79.64 149.07 31.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.86 -5.47 61.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.54 150.32 39.84 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.74 -22.52 64.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 0.782 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -73.97 -60.63 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 9.3 tt0 -48.71 -61.29 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -39.16 -69.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.02 -49.23 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.96 14.44 67.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.727 HD12 HG13 ' A' ' 31' ' ' ILE . 8.0 mt -80.37 -22.93 40.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.749 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 2.6 mm? -103.27 121.48 42.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -133.66 153.67 51.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.581 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.84 115.72 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 119.78 -6.65 12.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.25 135.04 36.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 31.6 tt0 -101.53 128.46 47.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.487 HG12 HG13 ' A' ' 81' ' ' ILE . 12.2 t -94.87 140.01 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ILE . 6.9 mt -129.42 -54.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -135.83 143.26 45.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.335 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.1 mt -136.05 106.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.75 14.57 9.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.44 -27.91 10.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.913 HG21 HD22 ' A' ' 92' ' ' LEU . 3.3 mp -71.58 130.93 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.451 ' O ' ' CE ' ' A' ' 84' ' ' LYS . 1.3 mt-10 -69.15 155.71 39.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.522 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.4 mm -128.39 -49.31 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -39.7 126.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.54 -48.83 2.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.451 ' CE ' ' O ' ' A' ' 80' ' ' GLU . 40.6 mttm -40.99 160.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 17.1 t0 -90.74 159.48 16.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 87' ' ' ASN . 31.2 m -55.74 -49.07 76.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -59.43 -46.44 88.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.602 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -52.55 -50.82 62.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.522 ' CG2' HG23 ' A' ' 81' ' ' ILE . 9.1 t -59.45 -56.75 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -50.47 -40.38 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -33.62 75.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.913 HD22 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -66.34 -66.79 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' MET . 2.5 mm? -43.14 -60.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.615 ' O ' ' CE1' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -43.28 -52.32 5.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 110.0 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -59.07 -32.82 70.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.552 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 12.2 mtm -89.49 162.4 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.615 ' CE1' ' O ' ' A' ' 94' ' ' SER . 90.4 m-70 -159.89 164.13 33.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 87.69 -163.31 33.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 35.4 m -71.81 98.93 2.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -98.39 137.94 36.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.581 HG23 HG23 ' A' ' 28' ' ' ILE . 5.4 m -90.34 107.87 19.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 41.7 m-85 -93.57 116.57 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.1 94.32 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.94 161.73 35.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.4 mt -107.6 122.57 40.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 115.74 4.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.4 t . . . . . 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 179.981 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.32 0 N-CA-C 110.264 -0.273 . . . . 0.0 110.264 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.88 124.67 28.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.752 HG12 HG12 ' A' ' 105' ' ' ILE . 4.1 m -117.87 144.71 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -104.82 116.94 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.539 ' CG2' HG23 ' A' ' 101' ' ' THR . 5.3 mp -87.27 132.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.75 118.5 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 12.1 mtt180 -97.63 125.98 42.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.964 HD11 ' HB2' ' A' ' 66' ' ' LEU . 95.1 mt -120.87 142.36 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -91.83 109.43 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.76 129.27 55.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.61 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -75.12 169.77 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -77.8 1.44 20.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.342 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.99 37.04 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.61 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -119.2 127.46 26.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 153.11 41.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 tp -67.81 -57.78 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.5 38.06 45.28 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -144.37 120.25 10.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -86.81 153.87 21.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.661 HG23 HG12 ' A' ' 86' ' ' VAL . 3.3 m -144.8 143.82 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.7 162.62 12.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.37 99.16 10.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.8 mm-40 -80.9 165.05 22.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.581 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.9 mmm -19.79 -59.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -155.23 24.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.429 ' HB3' HD11 ' A' ' 51' ' ' ILE . 19.1 m -133.13 153.37 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.753 ' C ' HD12 ' A' ' 51' ' ' ILE . 90.4 t -101.49 102.62 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.753 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.4 mp -107.5 153.78 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 55' ' ' ILE . 27.3 mm -68.12 144.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -44.78 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.497 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -154.37 159.16 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.514 HD11 HG21 ' A' ' 52' ' ' ILE . 32.2 mm -120.65 121.6 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -86.56 146.07 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -76.84 147.89 36.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.38 -2.87 64.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.155 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.21 148.47 31.31 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -29.37 59.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -69.11 -56.02 8.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 13.7 tt0 -61.67 -51.39 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -40.1 -67.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.5 p -64.98 -36.34 84.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.414 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 72.38 40.21 55.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.573 1.171 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.964 ' HB2' HD11 ' A' ' 31' ' ' ILE . 7.0 mt -97.7 -16.8 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.489 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.3 mm? -103.89 131.66 50.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -133.69 137.56 45.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.46 114.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.02 -3.15 16.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 14.1 m-20 -80.89 130.76 35.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 24.7 tt0 -96.3 131.8 42.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.455 HG11 HD11 ' A' ' 76' ' ' ILE . 4.6 t -99.6 133.72 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.371 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.476 HD22 ' NH1' ' A' ' 82' ' ' ARG . 23.1 mt -119.98 -52.15 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.37 151.45 49.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.87 HG21 HD21 ' A' ' 93' ' ' LEU . 46.9 mt -139.74 103.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.01 13.73 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.85 -27.45 9.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.893 HG21 HD22 ' A' ' 92' ' ' LEU . 2.7 mp -70.74 133.62 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.57 157.62 36.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.594 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.5 mm -134.15 -46.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.476 ' NH1' HD22 ' A' ' 74' ' ' LEU . 2.3 ttt85 -39.87 120.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.31 -41.22 2.61 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' ILE . 24.8 mttm -45.46 154.48 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -88.69 160.06 17.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.661 HG12 HG23 ' A' ' 43' ' ' VAL . 29.7 m -53.03 -50.58 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.463 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -56.12 -47.72 77.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.665 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -54.28 -50.42 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.594 ' CG2' HG23 ' A' ' 81' ' ' ILE . 5.1 t -59.64 -55.89 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.523 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 19.8 m-85 -51.38 -54.01 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.68 -47.74 76.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.893 HD22 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -45.58 -71.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.87 HD21 HG21 ' A' ' 76' ' ' ILE . 92.3 mt -47.66 -51.52 21.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.95 -58.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.52 -39.5 84.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.3 mtm -75.46 161.33 29.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.8 151.33 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.606 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.73 -168.86 20.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.7 m -65.71 97.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -95.48 138.73 32.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.539 HG23 ' CG2' ' A' ' 28' ' ' ILE . 23.2 m -93.82 106.76 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -92.6 117.13 29.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 t -102.31 94.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -134.49 161.07 36.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.752 HG12 HG12 ' A' ' 26' ' ' VAL . 9.8 mt -106.87 122.95 40.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.65 4.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 3.9 t . . . . . 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.965 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 . . . . . 0 N--CA 1.452 -0.329 0 N-CA-C 110.312 -0.255 . . . . 0.0 110.312 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.82 122.89 23.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.46 HG12 ' CG1' ' A' ' 105' ' ' ILE . 2.4 m -110.24 133.38 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -97.12 117.7 31.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 28' ' ' ILE . 5.1 mp -91.84 147.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.541 ' HB ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -152.16 118.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -88.9 113.55 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.737 HG12 HD12 ' A' ' 66' ' ' LEU . 67.6 mt -104.79 138.02 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -97.36 119.98 36.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.484 ' CG ' ' CB ' ' A' ' 60' ' ' ALA . 7.6 mtpm? -127.33 136.61 52.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -74.93 171.92 13.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 1.0 OUTLIER -80.49 38.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER 170.73 40.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.552 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -121.88 126.56 26.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.03 34.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 1.042 HD23 HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -60.74 -52.08 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.1 35.98 57.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.749 ' HB3' HD12 ' A' ' 39' ' ' LEU . . . -145.19 118.12 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -86.21 152.16 23.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.805 HG12 HD13 ' A' ' 52' ' ' ILE . 1.7 m -141.13 156.4 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.468 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 55.0 mtp180 -100.89 156.27 17.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.349 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.93 97.76 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -82.79 164.71 20.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.543 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 mmt -24.18 -58.76 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -151.18 23.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.3 m -132.68 153.59 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 73' ' ' VAL . 55.5 t -108.25 100.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.2 mp -104.01 145.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.805 HD13 HG12 ' A' ' 43' ' ' VAL . 5.3 mm -64.46 162.24 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.468 ' HB2' ' CG ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -140.31 -54.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -131.8 146.7 52.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 55' ' ' ILE . 29.9 mm -116.49 106.02 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.4 146.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -82.15 156.51 24.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.405 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . 77.82 -2.4 64.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.66 156.05 34.42 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.484 ' CB ' ' CG ' ' A' ' 33' ' ' LYS . . . -66.07 -22.34 66.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.912 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . . . -74.92 -53.18 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 3.9 tt0 -55.85 -66.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLU . 5.1 mttp -39.97 -60.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.6 p -55.16 -37.06 66.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 62.53 44.21 97.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.737 HD12 HG12 ' A' ' 31' ' ' ILE . 19.6 mt -110.34 -12.02 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.722 HD21 ' CD1' ' A' ' 31' ' ' ILE . 2.6 mm? -106.69 131.02 54.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -133.47 132.72 41.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.565 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -47.48 114.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.65 5.04 18.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD1' HD13 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -88.65 124.71 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.487 ' OE2' HD21 ' A' ' 74' ' ' LEU . 25.3 tt0 -89.59 129.15 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.681 HG12 HG13 ' A' ' 81' ' ' ILE . 18.3 t -87.28 134.59 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.754 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -126.67 -54.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -133.0 142.44 48.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.51 HG21 HD21 ' A' ' 93' ' ' LEU . 25.6 mt -135.92 102.84 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.536 HD22 HD23 ' A' ' 100' ' ' LEU . 1.3 t-20 69.95 19.08 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.22 -23.67 28.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 mp -79.53 130.27 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.45 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 2.4 tt0 -71.39 161.4 31.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.681 HG13 HG12 ' A' ' 73' ' ' VAL . 2.5 mm -126.59 -43.67 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.754 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -40.7 118.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.33 -17.47 51.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 80' ' ' GLU . 21.3 mttp -74.61 165.39 25.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -97.77 138.26 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.775 HG23 HG23 ' A' ' 43' ' ' VAL . 1.5 p -40.31 -49.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.48 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -60.07 -45.94 91.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.8 OUTLIER -52.45 -49.34 64.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.437 HG21 HG21 ' A' ' 50' ' ' VAL . 37.0 t -56.76 -48.34 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.728 ' CZ ' HG22 ' A' ' 86' ' ' VAL . 23.3 m-30 -57.25 -32.3 66.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.06 -37.35 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 95' ' ' ASP . 0.2 OUTLIER -54.81 -64.28 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 1.042 HD13 HD23 ' A' ' 39' ' ' LEU . 87.2 mt -49.77 -46.54 50.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -17.97 9.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.8 m-20 -105.8 13.66 29.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . 24.2 mtm -135.1 148.44 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.532 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 2.0 m-70 -150.31 155.1 39.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.24 -170.12 23.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 m -68.07 102.4 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 110.441 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.536 HD23 HD22 ' A' ' 77' ' ' ASN . 0.3 OUTLIER -100.69 141.34 33.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.423 HG23 ' CG2' ' A' ' 28' ' ' ILE . 40.1 m -93.1 101.09 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -85.0 116.85 23.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.54 94.92 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -136.74 156.54 48.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.538 ' CD1' HD11 ' A' ' 74' ' ' LEU . 5.7 mt -104.37 127.44 29.08 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.99 5.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.0 t . . . . . 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.933 -179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.325 -0.25 . . . . 0.0 110.325 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.78 122.49 36.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.729 HG12 ' CG1' ' A' ' 105' ' ' ILE . 11.0 m -116.87 154.17 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -112.14 113.4 25.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.479 HG13 HG13 ' A' ' 103' ' ' VAL . 4.9 mp -80.11 129.44 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -132.41 117.86 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -92.98 111.52 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.62 HD12 HD11 ' A' ' 67' ' ' LEU . 75.6 mt -104.77 136.93 36.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -88.79 119.71 29.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HB3' HD11 ' A' ' 100' ' ' LEU . 2.5 tttt -125.51 146.02 49.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.792 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -93.64 169.66 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtm105 -80.67 5.02 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.03 19.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.792 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -112.03 125.12 30.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 149.03 35.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.771 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.56 -58.42 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.57 38.49 24.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.438 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.19 119.29 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -88.81 153.16 21.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.347 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.721 HG12 HD13 ' A' ' 52' ' ' ILE . 3.0 m -138.93 156.22 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -109.2 161.99 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.7 101.35 12.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.584 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -87.85 164.71 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.584 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -20.22 -58.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -154.35 23.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.409 ' CB ' ' OE1' ' A' ' 72' ' ' GLU . 74.7 m -132.97 153.66 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.5 t -102.86 92.14 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.426 HD11 ' OE1' ' A' ' 72' ' ' GLU . 2.8 mp -94.77 145.48 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.721 HD13 HG12 ' A' ' 43' ' ' VAL . 17.4 mm -59.9 146.5 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 p -119.15 -44.26 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 10.1 ttt-85 -151.57 159.31 44.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.42 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 43.9 mm -124.32 121.7 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 t -81.87 143.28 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -78.83 138.37 38.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' LYS . . . 84.86 1.69 88.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.61 144.84 23.44 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.64 -30.54 5.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -66.74 -55.06 16.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.21 -47.87 80.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -45.05 -67.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.5 p -57.72 -48.34 79.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.6 44.34 7.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.463 ' HB2' HD11 ' A' ' 31' ' ' ILE . 17.8 mt -113.69 -6.62 13.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 0.753 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.62 HD11 HD12 ' A' ' 31' ' ' ILE . 4.4 mt -120.54 126.14 49.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -133.9 156.07 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.629 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 64.0 mt-10 -62.07 124.81 21.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.37 -5.4 28.31 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.457 ' OD1' ' HA ' ' A' ' 106' ' ' PRO . 14.1 m-20 -80.91 134.24 35.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 28.7 tt0 -100.52 132.19 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.573 HG12 HG13 ' A' ' 81' ' ' ILE . 10.2 t -99.6 141.34 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -127.52 -47.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt-10 -142.72 150.04 39.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' A' ' 81' ' ' ILE . 73.4 mt -143.41 109.93 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.66 11.64 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.75 -27.17 9.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 92' ' ' LEU . 3.0 mp -70.96 135.0 28.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.21 142.37 43.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.573 HG13 HG12 ' A' ' 73' ' ' VAL . 5.6 mm -113.03 -23.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -53.36 119.91 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . 87.05 -42.81 3.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' GLY . 29.1 mttm -40.05 118.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -55.03 172.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.54 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 15.6 m -66.0 -44.61 92.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -61.01 -47.75 84.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -50.34 -51.4 45.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.56 ' CG2' HG23 ' A' ' 81' ' ' ILE . 7.2 t -60.93 -56.03 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 19.6 m-30 -50.62 -51.1 51.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -34.08 74.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.573 ' CD2' HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -63.14 -69.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.4 mm? -43.93 -59.94 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -38.1 -53.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.012 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -59.64 -44.94 93.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 12.4 mtm -75.16 165.35 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -161.78 174.54 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 78.22 -166.71 52.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.14 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.4 m -68.3 97.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -91.32 142.91 27.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.5 m -95.74 99.63 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 60.7 m-85 -88.09 117.94 27.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.479 HG13 HG13 ' A' ' 28' ' ' ILE . 4.3 t -106.1 94.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.602 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -137.15 160.92 37.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.729 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.2 mt -104.49 124.16 38.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.457 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -75.03 115.89 4.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.2 t . . . . . 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.99 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.298 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.07 122.82 17.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.626 HG12 ' CG1' ' A' ' 105' ' ' ILE . 5.6 m -107.43 138.42 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -99.82 115.49 29.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 28' ' ' ILE . 4.6 mp -86.26 146.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -150.68 118.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 7.5 mtt180 -91.23 108.06 19.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.607 ' CG1' HD12 ' A' ' 66' ' ' LEU . 81.2 mt -101.46 137.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -90.15 119.64 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.697 ' HZ3' ' N ' ' A' ' 39' ' ' LEU . 2.8 mtpp -119.96 125.34 48.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -70.58 172.6 8.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -81.06 20.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 34' ' ' ALA . 1.7 t0 -174.18 34.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.537 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -119.45 123.32 28.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.507 ' C ' ' NZ ' ' A' ' 33' ' ' LYS . 18.3 Cg_endo -75.0 157.86 42.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.889 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -64.91 -58.28 6.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.37 35.23 26.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.693 ' HB3' HD12 ' A' ' 39' ' ' LEU . . . -143.4 122.71 13.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.767 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -85.41 150.64 24.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.749 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -139.6 148.69 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.59 158.6 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -95.2 124.04 39.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.587 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -107.04 165.06 11.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.587 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.9 mmm -19.66 -57.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.4 m-20 -153.23 22.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.4 m -133.3 153.53 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.67 100.94 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp -102.15 154.04 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.662 HD13 HG12 ' A' ' 43' ' ' VAL . 3.9 mm -68.59 149.32 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.82 -46.88 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 4.7 ttt180 -150.05 162.95 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.503 HD13 ' HB1' ' A' ' 41' ' ' ALA . 13.2 mm -127.32 120.18 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 t -82.62 147.18 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -91.91 134.99 34.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.09 -9.25 56.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.65 -174.14 41.43 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.82 -40.68 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.786 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . . . -59.67 -55.14 38.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -48.09 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 3.5 mttt -38.14 -65.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.9 p -45.45 -44.02 11.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.99 33.56 84.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.607 HD12 ' CG1' ' A' ' 31' ' ' ILE . 9.9 mt -105.58 -1.47 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.758 ' CD2' HD21 ' A' ' 104' ' ' LEU . 4.5 mt -127.35 129.69 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.76 153.58 51.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.545 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 31.3 mt-10 -60.25 130.36 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.55 -3.5 36.86 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.454 ' OD1' ' HA ' ' A' ' 106' ' ' PRO . 18.9 m-20 -84.22 128.48 34.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.3 tt0 -92.32 130.4 38.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.592 HG12 HG13 ' A' ' 81' ' ' ILE . 19.9 t -90.87 138.79 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.819 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -126.68 -55.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.3 mt-10 -134.92 144.76 47.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.765 HG21 HD21 ' A' ' 93' ' ' LEU . 41.3 mt -137.81 106.92 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.747 ' ND2' HD23 ' A' ' 100' ' ' LEU . 1.6 t-20 69.87 9.52 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.75 -27.2 8.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.411 HG21 ' CD2' ' A' ' 92' ' ' LEU . 3.1 mp -71.1 138.62 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.45 156.44 36.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.592 HG13 HG12 ' A' ' 73' ' ' VAL . 3.5 mm -126.61 -45.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.819 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -39.34 115.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.35 -43.46 1.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.8 mttm -44.89 133.9 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -58.83 141.2 53.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.749 HG23 HG23 ' A' ' 43' ' ' VAL . 7.4 p -47.66 -31.87 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.473 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -76.23 -43.28 42.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.666 ' O ' HD12 ' A' ' 92' ' ' LEU . 1.6 mm-40 -49.29 -43.05 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.525 ' CG2' HG23 ' A' ' 81' ' ' ILE . 47.9 t -63.15 -53.61 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.657 ' CE1' HG22 ' A' ' 43' ' ' VAL . 22.9 m-30 -46.51 -54.32 9.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' LEU . 1.2 t0 -58.54 -53.38 59.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -39.51 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.765 HD21 HG21 ' A' ' 76' ' ' ILE . 70.6 mt -50.67 -42.37 56.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -16.16 19.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -114.78 23.23 12.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.528 ' HE3' HD23 ' A' ' 93' ' ' LEU . 19.7 mtm -134.74 147.05 49.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.45 155.02 41.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.93 -177.84 31.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -66.26 108.63 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.747 HD23 ' ND2' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -102.53 143.66 31.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.442 HG23 ' CG2' ' A' ' 28' ' ' ILE . 13.0 m -95.55 101.78 13.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.646 ' HB2' HG23 ' A' ' 29' ' ' VAL . 44.1 m-85 -83.97 118.39 23.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.77 94.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.758 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -139.52 159.85 41.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.626 ' CG1' HG12 ' A' ' 26' ' ' VAL . 2.4 mt -107.42 129.97 23.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.454 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.95 119.53 5.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.5 t . . . . . 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 -179.996 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.299 0 N-CA-C 110.282 -0.266 . . . . 0.0 110.282 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.91 122.25 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 5.5 m -104.97 137.2 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -102.65 110.7 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.533 HG23 HG23 ' A' ' 101' ' ' THR . 4.6 mp -81.6 124.06 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -126.83 119.34 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -94.52 116.35 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.578 HD12 HD11 ' A' ' 67' ' ' LEU . 76.1 mt -108.02 136.11 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -93.14 114.82 27.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.474 ' HB2' HD11 ' A' ' 100' ' ' LEU . 7.9 mtpm? -121.27 130.33 53.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -72.93 172.24 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -81.53 17.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -163.68 31.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -117.45 129.41 25.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.63 42.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.4 HD22 HD12 ' A' ' 93' ' ' LEU . 25.8 tp -66.24 -58.76 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.42 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 75.55 36.74 42.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.097 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.22 116.88 8.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -85.65 158.18 20.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.682 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 3.5 m -148.01 146.48 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.26 163.18 12.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 98.35 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.579 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.1 mm-40 -81.26 164.85 21.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.579 ' C ' ' O ' ' A' ' 46' ' ' GLU . 4.4 mmm -20.07 -58.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -155.06 24.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.8 m -132.8 153.06 51.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.503 ' C ' HD12 ' A' ' 51' ' ' ILE . 79.1 t -103.0 98.44 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.0 mp -102.64 151.61 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.09 143.65 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.55 -45.66 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.44 ' O ' HD13 ' A' ' 55' ' ' ILE . 3.1 ttt-85 -153.2 160.59 42.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 54' ' ' ARG . 40.6 mm -122.38 120.61 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.42 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 11.5 t -84.67 144.64 9.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -82.62 137.84 34.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 57' ' ' LYS . . . 91.91 3.62 67.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.89 164.76 32.78 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.39 -20.77 63.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 67' ' ' LEU . . . -75.22 -51.39 13.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.12 -64.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.89 -64.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -54.89 -49.63 70.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.84 46.63 16.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.562 HD12 ' CG1' ' A' ' 31' ' ' ILE . 17.4 mt -115.07 -8.38 12.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.578 HD11 HD12 ' A' ' 31' ' ' ILE . 1.8 mt -120.93 125.67 48.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -134.39 156.99 47.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.623 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -62.1 114.04 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.05 -10.59 8.81 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 31.7 m-20 -77.33 134.69 38.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.577 ' OE1' HD11 ' A' ' 51' ' ' ILE . 20.1 tt0 -101.61 133.7 45.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.617 HG12 HG13 ' A' ' 81' ' ' ILE . 30.8 t -98.72 140.9 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 105' ' ' ILE . 0.7 OUTLIER -129.28 -51.3 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -137.87 144.56 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.711 HG21 HD21 ' A' ' 93' ' ' LEU . 49.8 mt -135.52 107.14 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 64.58 13.59 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.68 -24.01 14.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.774 HG21 HD22 ' A' ' 92' ' ' LEU . 3.0 mp -72.38 133.25 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.31 151.23 41.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.617 HG13 HG12 ' A' ' 73' ' ' VAL . 4.0 mm -123.35 -42.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.31 114.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . 96.84 -45.57 1.81 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.0 mttm -40.32 135.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 10.0 t70 -68.92 159.5 32.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.495 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 19.0 m -55.53 -41.98 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.67 -47.75 79.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -49.31 -51.89 31.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 81' ' ' ILE . 55.6 t -58.67 -58.46 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.682 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 20.3 m-85 -49.4 -52.22 29.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -42.43 92.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.774 HD22 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -51.26 -71.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.711 HD21 HG21 ' A' ' 76' ' ' ILE . 88.4 mt -45.92 -51.08 13.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.11 -57.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.954 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.79 -39.03 87.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.574 ' HE2' HD23 ' A' ' 93' ' ' LEU . 14.1 mtm -75.25 160.8 29.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.81 149.44 14.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 101.25 -168.18 19.78 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.7 m -67.16 97.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.431 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -94.21 138.64 32.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.533 HG23 HG23 ' A' ' 28' ' ' ILE . 5.1 m -90.97 99.94 12.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 74.4 m-85 -89.13 118.35 28.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.9 t -102.2 94.74 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.7 160.34 39.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.479 ' CD1' HD11 ' A' ' 74' ' ' LEU . 3.2 mt -108.86 127.2 27.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.406 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 18.2 Cg_endo -75.02 118.77 5.38 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 -179.984 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.293 0 N-CA-C 110.284 -0.265 . . . . 0.0 110.284 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.9 124.3 19.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 11.6 m -107.77 161.32 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -120.23 118.96 31.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.646 HG23 HG23 ' A' ' 101' ' ' THR . 3.9 mp -95.78 110.9 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -116.99 117.86 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -94.14 119.08 32.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.972 HG13 HD12 ' A' ' 66' ' ' LEU . 64.6 mt -117.26 139.0 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -86.83 119.11 26.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.701 ' HZ1' ' HB3' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -117.64 159.33 23.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.812 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -108.46 169.84 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.436 ' HG2' ' CG ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -81.32 5.18 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.0 24.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.812 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -112.39 123.08 34.92 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.23 18.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.422 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 7.8 tp -46.6 -51.83 14.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.95 35.27 45.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.63 122.7 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -85.66 154.0 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -145.14 146.06 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.62 158.29 17.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -95.48 119.51 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.592 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.7 mm-40 -102.65 164.93 11.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.592 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 mmt -19.53 -57.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.6 m-20 -154.9 23.66 0.44 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.1 m -133.6 153.48 51.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.493 ' C ' HD12 ' A' ' 51' ' ' ILE . 46.4 t -106.64 105.07 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.9 mp -107.25 152.78 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.5 mm -67.37 148.55 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -49.48 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.953 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 13.8 ttp-105 -148.21 159.38 44.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.688 HG22 ' OE1' ' A' ' 62' ' ' GLU . 37.3 mm -122.42 114.89 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 t -80.74 147.46 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -78.46 155.91 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.421 ' HA2' ' CE ' ' A' ' 63' ' ' LYS . . . 65.27 9.78 44.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.61 143.48 19.22 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.701 ' HB3' ' HZ1' ' A' ' 33' ' ' LYS . . . -53.05 -26.25 15.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -78.95 -44.5 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.688 ' OE1' HG22 ' A' ' 55' ' ' ILE . 4.6 tt0 -70.72 -52.77 18.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.421 ' CE ' ' HA2' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -39.16 -62.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.7 p -62.43 -44.09 97.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.422 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 78.83 38.18 24.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.155 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.972 HD12 HG13 ' A' ' 31' ' ' ILE . 7.2 mt -98.9 -12.87 20.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 0.742 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.502 HD11 HD21 ' A' ' 104' ' ' LEU . 3.7 mm? -105.02 130.6 53.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -133.54 129.6 37.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -45.75 126.39 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.16 1.79 35.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.539 1.149 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.456 ' OD1' HD13 ' A' ' 104' ' ' LEU . 1.1 m-20 -86.76 129.2 34.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.0 tt0 -94.88 128.68 41.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.601 HG12 HG13 ' A' ' 81' ' ' ILE . 39.4 t -88.87 137.75 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.662 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -124.98 -49.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.74 145.78 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.547 HD12 HD11 ' A' ' 81' ' ' ILE . 77.4 mt -138.42 109.4 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 68.07 12.89 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.05 -27.93 10.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.7 137.47 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.453 ' O ' ' CE ' ' A' ' 84' ' ' LYS . 4.6 tt0 -76.23 148.51 37.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.611 ' CD1' HG22 ' A' ' 89' ' ' VAL . 3.5 mm -116.64 -43.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.662 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -38.23 114.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.14 -44.58 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 80' ' ' GLU . 22.7 mttm -42.66 141.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . 9.9 t0 -70.97 140.53 50.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 43' ' ' VAL . 7.9 p -43.96 -34.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.42 -42.62 53.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -50.92 -45.44 60.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.611 HG22 ' CD1' ' A' ' 81' ' ' ILE . 37.2 t -60.5 -50.01 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.68 ' CE1' HG22 ' A' ' 43' ' ' VAL . 13.5 m-30 -54.52 -48.11 72.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -30.9 71.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -67.13 -69.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.2 mm? -41.88 -60.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.49 -52.33 1.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -44.03 97.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.5 mtm -74.09 164.21 26.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 35' ' ' ARG . 1.5 p80 -164.2 159.83 20.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.63 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.39 -164.17 28.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.7 m -68.48 97.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -92.15 141.14 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.646 HG23 HG23 ' A' ' 28' ' ' ILE . 4.8 m -96.7 103.12 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 77.2 m-85 -92.65 119.98 32.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.567 HG13 HG13 ' A' ' 28' ' ' ILE . 4.8 t -111.35 94.84 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.502 HD21 HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -131.79 163.82 27.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.412 HG13 HD11 ' A' ' 74' ' ' LEU . 11.3 mt -108.3 128.83 24.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.38 5.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 7.1 t . . . . . 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.967 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.296 -0.261 . . . . 0.0 110.296 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.7 126.22 18.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.539 HG12 ' CG1' ' A' ' 105' ' ' ILE . 2.2 m -109.7 136.5 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.98 114.27 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.626 HG23 HG22 ' A' ' 101' ' ' THR . 4.9 mp -87.66 146.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.67 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -147.86 119.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -99.09 115.81 29.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.816 HG13 HD12 ' A' ' 66' ' ' LEU . 70.1 mt -113.9 134.05 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -83.07 106.49 14.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.542 ' HZ2' ' HB2' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -108.23 159.32 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.55 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -110.69 169.87 8.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG2' ' CG ' ' A' ' 97' ' ' HIS . 4.9 mtm180 -82.53 7.94 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -147.37 21.63 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -113.78 130.18 24.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.84 38.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.542 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 27.1 tp -76.72 -57.83 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.455 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 73.37 39.61 50.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.54 119.12 9.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.6 m -85.67 147.78 26.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.832 HG23 HG23 ' A' ' 86' ' ' VAL . 1.5 m -140.94 150.09 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.512 ' CG ' ' CB ' ' A' ' 53' ' ' SER . 36.7 mtp180 -104.85 152.19 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -96.29 110.07 22.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.636 ' HB2' HD13 ' A' ' 51' ' ' ILE . 2.2 mm-40 -92.41 164.5 13.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.591 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.0 mmt -20.15 -56.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.6 m-20 -155.07 23.29 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.7 m -132.88 153.76 51.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.823 ' C ' HD12 ' A' ' 51' ' ' ILE . 3.3 t -104.04 112.75 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.823 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.6 mp -115.52 134.23 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.519 HD13 HG12 ' A' ' 43' ' ' VAL . 22.1 mm -56.97 147.19 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.512 ' CB ' ' CG ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -115.23 -52.31 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -149.12 163.82 36.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 37.3 mm -122.4 119.49 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.455 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 10.7 t -86.55 151.99 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.99 153.75 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.37 -0.36 69.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.9 148.12 19.68 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.409 ' CB ' ' HG3' ' A' ' 33' ' ' LYS . . . -53.89 -27.97 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -69.96 -57.29 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HB2' HG22 ' A' ' 55' ' ' ILE . 6.0 tt0 -63.65 -50.06 70.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -40.09 -65.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.412 ' OG ' ' CD1' ' A' ' 31' ' ' ILE . 66.0 p -69.15 -34.97 75.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.69 42.24 62.67 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.816 HD12 HG13 ' A' ' 31' ' ' ILE . 11.2 mt -100.52 -11.84 19.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.726 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.438 HD11 HD21 ' A' ' 104' ' ' LEU . 3.9 mm? -103.99 131.96 50.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -133.4 135.55 44.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.622 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 46.2 mt-10 -51.72 129.2 25.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.47 -8.78 44.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.544 ' HB3' HD13 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -73.14 131.56 42.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 74' ' ' LEU . 33.0 tt0 -105.53 100.34 9.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CA ' ' HB3' ' A' ' 104' ' ' LEU . 1.7 p -77.69 128.16 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.55 HD21 ' HG2' ' A' ' 72' ' ' GLU . 8.5 mt -114.53 -29.6 6.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.5 tt0 -140.16 141.89 36.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.917 HD12 HD11 ' A' ' 81' ' ' ILE . 10.4 mt -134.55 103.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 70.42 10.58 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.19 -25.82 8.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 3.5 mp -77.57 128.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.427 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 1.4 tt0 -64.57 168.96 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.917 HD11 HD12 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -135.68 -46.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -36.51 121.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . 98.53 -22.69 39.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.427 ' NZ ' ' O ' ' A' ' 80' ' ' GLU . 1.7 mttp -67.04 156.45 36.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -92.11 149.84 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.845 HG22 ' CE2' ' A' ' 90' ' ' PHE . 3.7 p -51.21 -38.62 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -45.53 72.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.51 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -55.26 -56.27 21.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.604 HG22 HD13 ' A' ' 81' ' ' ILE . 7.4 t -49.89 -53.64 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.845 ' CE2' HG22 ' A' ' 86' ' ' VAL . 14.9 m-85 -52.44 -48.0 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -42.82 93.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -50.86 -71.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.816 HD21 HD13 ' A' ' 76' ' ' ILE . 81.3 mt -43.42 -53.48 5.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.64 -59.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.5 -39.5 80.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' LEU . 10.5 mtm -76.68 165.07 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -165.5 173.91 10.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.573 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.13 -167.3 50.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.8 m -65.83 101.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.45 134.08 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.626 HG22 HG23 ' A' ' 28' ' ' ILE . 44.2 m -93.15 100.91 13.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.67 ' HB2' HG23 ' A' ' 29' ' ' VAL . 62.8 m-85 -84.88 123.91 31.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.95 94.37 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.544 HD13 ' HB3' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -133.0 156.37 47.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.539 ' CG1' HG12 ' A' ' 26' ' ' VAL . 5.2 mt -104.01 126.44 31.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 111.56 3.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.7 t . . . . . 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . 0.66 ' OE2' HG13 ' A' ' 26' ' ' VAL . 1.9 pt-20 . . . . . 0 N--CA 1.453 -0.278 0 N-CA-C 110.277 -0.268 . . . . 0.0 110.277 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.29 121.85 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.66 HG13 ' OE2' ' A' ' 24' ' ' GLU . 1.7 m -110.18 136.24 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.63 111.96 24.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.844 HG12 HG22 ' A' ' 103' ' ' VAL . 86.6 mt -88.55 152.67 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -149.3 118.63 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -89.58 104.5 17.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.66 HG12 HD12 ' A' ' 66' ' ' LEU . 73.8 mt -99.45 138.06 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -91.71 107.0 18.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HB3' HD11 ' A' ' 100' ' ' LEU . 6.6 tttt -110.23 160.12 16.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -118.82 169.83 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -82.9 10.54 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -148.96 25.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.15 127.71 26.52 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.02 27.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.407 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 53.8 tp -56.42 -57.55 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 70.05 35.55 71.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.81 120.21 9.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.418 ' HB ' ' OG ' ' A' ' 53' ' ' SER . 3.8 m -85.36 151.57 23.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -140.43 149.67 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 45.0 mtp180 -105.16 149.11 26.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -100.45 110.55 22.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.599 ' O ' ' C ' ' A' ' 47' ' ' MET . 42.2 mm-40 -97.41 165.16 12.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.599 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -18.61 -58.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' GLU . 9.5 m-20 -155.97 25.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 11.2 m -131.12 154.4 48.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.866 ' O ' HD13 ' A' ' 51' ' ' ILE . 16.6 t -107.33 118.53 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.866 HD13 ' O ' ' A' ' 50' ' ' VAL . 7.3 mm -124.0 132.14 71.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.0 mm -56.81 141.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.495 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -107.31 -53.74 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.006 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.7 ttt180 -149.32 163.42 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.494 HG22 ' HB2' ' A' ' 62' ' ' GLU . 49.4 mm -124.04 119.33 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' GLY . 11.0 t -85.01 147.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -78.02 146.66 35.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.09 -9.39 60.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 61' ' ' ALA . . . -79.29 133.75 12.9 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLY . . . -39.78 -30.5 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -65.85 -60.1 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.494 ' HB2' HG22 ' A' ' 55' ' ' ILE . 4.8 tt0 -60.14 -55.58 32.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -40.72 -62.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.411 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 81.8 p -64.99 -25.16 67.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 57.39 37.81 83.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 31' ' ' ILE . 9.6 mt -109.57 11.62 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.42 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 18.7 mt -138.31 123.15 18.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.26 156.66 48.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -61.68 130.09 44.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.13 -13.03 34.08 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.58 ' CG ' HD13 ' A' ' 104' ' ' LEU . 1.6 m-20 -72.21 123.12 22.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.749 ' HB2' HD12 ' A' ' 51' ' ' ILE . 43.8 tt0 -100.08 99.37 10.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.813 HG13 HG21 ' A' ' 81' ' ' ILE . 2.2 p -77.87 132.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.508 HD22 ' CZ ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -115.92 -33.36 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.237 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.9 mt-10 -140.51 145.75 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.696 HD12 HD11 ' A' ' 81' ' ' ILE . 9.8 mt -135.92 110.85 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 59.91 15.1 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.18 -28.93 8.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.581 HG21 HD22 ' A' ' 92' ' ' LEU . 3.8 mp -69.86 134.05 30.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.85 167.4 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.932 HD13 HG22 ' A' ' 89' ' ' VAL . 1.1 mm -137.03 -49.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.508 ' CZ ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -38.29 114.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . 101.25 -43.34 1.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' ILE . 15.6 mttm -42.28 130.18 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 88' ' ' GLU . 28.5 t70 -70.68 150.67 45.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.71 HG23 HG23 ' A' ' 43' ' ' VAL . 4.0 p -43.07 -37.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -44.2 65.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.575 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -52.41 -55.79 19.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.932 HG22 HD13 ' A' ' 81' ' ' ILE . 2.9 t -54.38 -44.27 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.607 ' CZ ' HG22 ' A' ' 86' ' ' VAL . 13.8 m-30 -63.59 -68.33 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.62 -25.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.581 HD22 HG21 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -70.08 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.617 HD21 HD13 ' A' ' 76' ' ' ILE . 60.9 mt -45.83 -53.61 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.0 t -39.06 -57.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -38.78 83.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' LEU . 11.1 mtm -77.91 166.51 22.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -168.57 164.11 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.67 -164.63 33.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.3 m -66.28 99.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 110.452 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -99.77 137.77 37.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.787 HG23 ' CG2' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -93.38 103.29 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.468 ' HB3' HD21 ' A' ' 104' ' ' LEU . 17.3 m-85 -87.13 116.77 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.844 HG22 HG12 ' A' ' 28' ' ' ILE . 46.8 t -102.76 94.01 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.58 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -134.26 158.49 43.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 32.1 mt -104.3 125.62 33.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 113.07 3.71 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.4 t . . . . . 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.975 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 N--CA 1.453 -0.322 0 N-CA-C 110.341 -0.244 . . . . 0.0 110.341 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.69 121.1 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.17 139.95 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -98.97 108.8 21.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.411 HG23 ' CG2' ' A' ' 101' ' ' THR . 4.3 mp -80.35 117.31 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -119.29 121.09 65.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 43.0 mtt180 -103.3 120.15 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.951 HG13 HD12 ' A' ' 66' ' ' LEU . 97.3 mt -117.47 143.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -94.78 95.11 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.616 ' HB3' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -101.21 105.18 16.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.501 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -61.25 159.46 12.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HD2' ' CD2' ' A' ' 97' ' ' HIS . 27.1 ttt180 -70.5 -5.76 31.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -126.49 10.29 7.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mm -104.24 129.05 25.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.56 36.93 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.49 ' CD2' HD12 ' A' ' 93' ' ' LEU . 2.6 tp -79.74 -56.83 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.453 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 65.4 39.49 95.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.29 115.56 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.7 m -85.75 153.92 21.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -146.73 146.68 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 171.61 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.46 107.24 17.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.623 ' HB2' HD13 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -88.24 164.75 15.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.605 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.9 mmm -18.2 -60.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.5 m-20 -151.41 21.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.1 m -132.77 153.87 50.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.813 ' C ' HD12 ' A' ' 51' ' ' ILE . 3.4 t -105.85 113.08 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.813 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.7 mp -114.67 153.07 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.73 143.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -42.31 3.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.493 ' O ' HD13 ' A' ' 55' ' ' ILE . 5.7 ttt180 -157.56 161.44 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 54' ' ' ARG . 36.1 mm -123.74 117.58 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.453 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 17.8 t -86.27 134.14 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -70.74 146.44 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' HE3' ' A' ' 57' ' ' LYS . . . 91.18 -6.78 81.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.22 164.55 38.57 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.91 85.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -48.45 -55.53 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 5.3 tt0 -57.17 -62.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 4.0 mttt -39.93 -68.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.53 -53.88 40.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.419 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 86.19 44.89 5.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.951 HD12 HG13 ' A' ' 31' ' ' ILE . 15.7 mt -112.06 -17.07 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.702 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 3.2 mm? -103.42 122.6 45.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -133.72 135.77 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -47.08 119.65 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.88 -13.04 17.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 2.3 m-20 -71.82 133.12 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 25.6 tt0 -101.75 124.3 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.606 ' CG1' HG21 ' A' ' 81' ' ' ILE . 3.5 t -91.61 116.47 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.452 HD22 ' NE ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -99.38 -56.97 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -137.09 151.85 49.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.655 HD12 ' CD1' ' A' ' 81' ' ' ILE . 50.8 mt -137.92 109.01 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.24 10.48 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.05 -28.04 8.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mp -73.4 141.35 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . 0.483 ' CB ' ' HE2' ' A' ' 84' ' ' LYS . 2.0 mt-10 -69.49 158.86 34.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.655 ' CD1' HD12 ' A' ' 76' ' ' ILE . 4.5 mm -135.99 -43.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 81' ' ' ILE . 2.4 mtt180 -35.12 -93.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -42.23 -34.52 1.56 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' A' ' 80' ' ' GLU . 15.1 mttm -57.48 133.48 55.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 9.1 t70 -74.84 168.51 19.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 87' ' ' ASN . 16.4 m -60.33 -48.59 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.461 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -57.6 -47.86 81.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.811 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -57.16 -31.61 65.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.509 HG22 HD13 ' A' ' 81' ' ' ILE . 19.7 t -77.97 -52.71 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -53.05 -32.47 47.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -35.18 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.811 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -61.07 -70.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.49 HD12 ' CD2' ' A' ' 39' ' ' LEU . 84.6 mt -43.97 -49.55 8.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.44 -57.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -36.46 83.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.4 mtm -76.39 165.85 24.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -168.35 -178.63 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.567 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.4 -163.12 53.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 m -69.64 100.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -96.21 132.8 41.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.411 ' CG2' HG23 ' A' ' 28' ' ' ILE . 94.2 m -88.37 102.45 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 67.0 m-85 -90.52 117.21 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.1 t -101.62 94.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.46 171.49 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.0 mt -122.16 125.99 26.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.9 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.967 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.253 -0.277 . . . . 0.0 110.253 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.5 121.78 20.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.478 HG12 ' CG1' ' A' ' 105' ' ' ILE . 12.6 m -105.23 139.48 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -107.25 114.86 29.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.674 HD12 ' N ' ' A' ' 28' ' ' ILE . 3.6 mp -83.46 153.5 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.494 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -153.62 117.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -92.22 125.54 36.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.756 HG13 HD12 ' A' ' 66' ' ' LEU . 73.3 mt -121.06 134.87 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.82 113.98 26.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HZ2' HD13 ' A' ' 39' ' ' LEU . 3.3 mtpt -120.65 131.16 54.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.411 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -74.76 171.52 13.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -80.57 9.97 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.69 29.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.411 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -117.42 129.07 25.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.47 29.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.445 1.761 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.559 HD13 ' HZ2' ' A' ' 33' ' ' LYS . 37.7 tp -81.99 -46.49 13.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 63.99 40.01 97.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.26 120.29 10.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 0.722 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.3 m -86.0 147.22 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.907 HG12 HD13 ' A' ' 52' ' ' ILE . 27.5 m -136.56 153.38 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.47 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 55.8 mtp180 -101.68 173.35 6.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.835 ' OD1' HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -117.31 98.91 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.582 ' O ' ' C ' ' A' ' 47' ' ' MET . 4.4 mm-40 -84.94 165.07 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.582 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mmt -20.67 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -153.87 23.98 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.7 m -130.51 154.36 47.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.64 ' C ' HD12 ' A' ' 51' ' ' ILE . 20.6 t -106.47 113.25 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.0 mp -116.44 145.72 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.907 HD13 HG12 ' A' ' 43' ' ' VAL . 26.3 mm -64.27 143.09 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.47 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -112.61 -48.5 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.4 ttt180 -151.51 163.17 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 41.3 mm -121.78 118.59 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 11.5 t -82.95 140.72 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 128.59 33.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.97 -14.72 37.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.27 165.26 53.47 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' HG3' ' A' ' 33' ' ' LYS . . . -73.38 -28.29 61.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.779 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -67.05 -46.42 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 5.0 tt0 -58.61 -68.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -39.8 -56.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.405 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 32.6 p -60.37 -38.91 85.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 63.51 39.24 97.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.756 HD12 HG13 ' A' ' 31' ' ' ILE . 11.7 mt -102.04 -16.41 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.4 mm? -104.45 130.39 52.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -133.53 134.45 43.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -47.02 115.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.86 -6.15 18.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.68 121.7 23.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 57.2 tt0 -94.28 126.43 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.608 ' CG1' HG12 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -103.05 138.02 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 mt -121.44 -42.35 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.4 mt-10 -134.97 143.29 46.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.709 HD12 HD11 ' A' ' 81' ' ' ILE . 5.2 mt -133.74 103.98 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.24 8.49 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.9 -24.37 8.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.574 HG21 ' CD1' ' A' ' 92' ' ' LEU . 3.1 mp -70.42 128.57 33.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -77.06 117.29 18.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.709 HD11 HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -90.14 -26.34 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 105.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.06 -29.51 9.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' ILE . 1.2 mttp -56.2 138.13 50.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.784 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -78.96 170.51 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.168 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.835 HG13 ' OD1' ' A' ' 45' ' ' ASN . 27.6 m -59.92 -48.82 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.444 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -62.79 -45.19 93.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -52.17 -51.82 55.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 81' ' ' ILE . 16.0 t -58.19 -63.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 17.5 m-85 -42.18 -34.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -49.8 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.574 ' CD1' HG21 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -43.54 -71.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 96' ' ' MET . 85.2 mt -44.35 -51.32 8.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.09 -46.0 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.59 -37.32 65.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.7 mtm -79.2 170.74 16.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.71 151.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 101.01 -166.95 19.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -66.27 97.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -96.12 136.99 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.564 HG22 HG23 ' A' ' 28' ' ' ILE . 31.8 m -94.23 103.23 15.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.494 ' HB2' HG23 ' A' ' 29' ' ' VAL . 24.6 m-85 -85.31 116.4 23.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 17.3 t -100.43 93.28 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -136.88 168.61 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.478 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.2 mt -116.62 131.29 23.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 117.0 4.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.6 t . . . . . 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 179.999 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.453 -0.294 0 N-CA-C 110.278 -0.268 . . . . 0.0 110.278 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.79 123.94 21.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 12.9 m -105.37 140.82 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -97.33 119.41 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.596 HG23 HG23 ' A' ' 101' ' ' THR . 4.6 mp -93.56 130.87 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.626 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -137.83 117.78 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -92.16 109.29 20.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.242 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.425 ' HB ' ' CE1' ' A' ' 102' ' ' PHE . 53.0 mt -102.59 135.18 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.369 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -93.23 117.75 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' GLY . 34.2 mtpt -123.93 132.09 53.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.639 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -73.89 171.45 13.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.491 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 2.7 ttt180 -81.48 38.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 171.23 40.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.639 HG13 ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -122.26 129.42 25.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.46 27.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.506 HD22 HD12 ' A' ' 93' ' ' LEU . 24.9 tp -59.63 -44.35 93.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 63.95 33.77 88.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.62 120.3 9.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.1 m -85.59 150.08 24.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.756 HG12 HD13 ' A' ' 52' ' ' ILE . 3.8 m -148.46 138.96 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -104.39 149.41 25.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 84' ' ' LYS . 4.5 t-20 -95.15 105.19 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.643 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.7 mm-40 -80.98 169.21 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.643 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.2 mmt -11.54 -65.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.5 m-20 -145.82 18.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 46' ' ' GLU . 48.8 m -133.91 136.84 44.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.826 HG13 ' HB ' ' A' ' 73' ' ' VAL . 1.9 p -93.11 110.39 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.763 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.5 mp -110.29 150.25 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.756 HD13 HG12 ' A' ' 43' ' ' VAL . 28.3 mm -60.03 148.3 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.06 -46.84 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 42' ' ' THR . 2.4 ttt180 -155.29 161.71 41.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 47.1 mm -123.47 120.34 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' GLY . 13.8 t -88.17 142.9 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -75.58 149.25 38.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.43 -1.85 69.53 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.42 152.77 36.3 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.53 -34.37 72.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -61.82 -60.17 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.18 -57.65 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -40.82 -68.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.0 p -53.85 -31.62 50.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.2 43.12 99.8 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 14.3 mt -115.97 9.31 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 mt -136.07 125.81 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . 0.463 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -133.21 154.29 50.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.91 126.92 29.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.71 -3.97 32.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -80.82 131.3 35.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 27.3 tt0 -96.82 130.38 44.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.826 ' HB ' HG13 ' A' ' 50' ' ' VAL . 35.0 t -101.3 140.04 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.465 HD21 ' HG2' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -128.31 -45.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.92 141.24 46.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.961 HG21 HD21 ' A' ' 93' ' ' LEU . 39.6 mt -128.97 107.62 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.608 ' ND2' HD23 ' A' ' 100' ' ' LEU . 1.3 t-20 69.77 8.3 6.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.09 -24.56 11.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.162 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.65 126.66 32.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.06 140.94 50.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.844 HD13 HG22 ' A' ' 89' ' ' VAL . 1.1 mt -118.37 -39.33 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -31.47 110.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.12 16.87 36.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.536 ' HB2' HG23 ' A' ' 81' ' ' ILE . 21.7 mttm -98.09 -170.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -127.64 150.91 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.564 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 15.8 m -46.8 -53.42 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -54.25 -47.84 71.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.67 ' O ' HD12 ' A' ' 92' ' ' LEU . 1.2 mt-10 -58.98 -47.24 85.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.844 HG22 HD13 ' A' ' 81' ' ' ILE . 72.8 t -60.78 -45.63 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 20.7 m-85 -63.34 -62.54 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -29.08 6.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -63.03 -70.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.961 HD21 HG21 ' A' ' 76' ' ' ILE . 75.4 mt -48.14 -48.46 34.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.25 -57.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -38.14 86.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.633 ' HE3' HD23 ' A' ' 93' ' ' LEU . 15.2 mtm -76.27 163.8 26.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.491 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -166.51 153.74 9.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 96.69 -167.0 24.14 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.6 m -65.82 106.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.608 HD23 ' ND2' ' A' ' 77' ' ' ASN . 0.5 OUTLIER -105.07 135.67 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.596 HG23 HG23 ' A' ' 28' ' ' ILE . 4.9 m -89.83 101.83 14.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.626 ' HB2' HG23 ' A' ' 29' ' ' VAL . 71.0 m-85 -89.32 122.04 32.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.8 98.03 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -137.99 167.76 21.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.13 132.89 23.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 119.02 5.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t . . . . . 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.973 -179.945 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.453 -0.297 0 N-CA-C 110.345 -0.243 . . . . 0.0 110.345 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.14 122.08 26.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.807 HG12 HG12 ' A' ' 105' ' ' ILE . 0.6 OUTLIER -119.15 145.37 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -100.73 109.12 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 28' ' ' ILE . 4.2 mp -85.84 121.88 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -126.76 119.49 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -95.65 115.63 27.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.954 HG13 HD12 ' A' ' 66' ' ' LEU . 69.4 mt -115.3 138.62 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.13 133.32 44.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.595 ' HZ2' HD13 ' A' ' 39' ' ' LEU . 35.2 mtpt -134.13 146.29 50.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -75.92 171.55 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 5.2 ttt85 -81.04 30.09 0.33 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 34' ' ' ALA . 31.6 p-10 -179.57 36.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.488 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -117.03 127.25 26.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 140.25 25.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.595 HD13 ' HZ2' ' A' ' 33' ' ' LYS . 42.4 tp -59.11 -31.59 69.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.94 40.07 71.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -144.78 124.85 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -85.51 151.25 24.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.888 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -143.18 143.62 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -105.86 154.75 20.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -94.71 118.75 32.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.598 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.4 mm-40 -99.85 164.92 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mmm -19.36 -58.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' GLU . 15.2 m-20 -152.54 22.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.4 m -132.83 153.74 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.447 ' C ' HD12 ' A' ' 51' ' ' ILE . 60.5 t -107.43 104.68 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.594 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp -108.05 154.03 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.178 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.3 mm -67.84 147.74 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.69 -48.46 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 0.8 OUTLIER -150.11 162.86 39.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.415 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 42.2 mm -124.17 118.8 54.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -84.69 148.98 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.62 151.46 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.44 3.51 62.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.428 ' O ' ' CG ' ' A' ' 63' ' ' LYS . . . -84.77 150.57 25.44 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 33' ' ' LYS . . . -54.31 -45.75 72.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -53.76 -61.42 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' LYS . 10.8 tt0 -55.84 -52.18 64.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -39.31 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.4 p -57.2 -39.02 74.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.52 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 74.75 40.68 36.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.954 HD12 HG13 ' A' ' 31' ' ' ILE . 6.4 mt -104.38 -14.63 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.5 mm? -103.68 130.14 51.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -133.07 138.05 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -51.22 125.82 15.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.05 1.83 38.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.532 ' CG ' HD13 ' A' ' 104' ' ' LEU . 1.1 m-20 -84.02 128.54 34.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE1' HD11 ' A' ' 51' ' ' ILE . 24.1 tt0 -95.42 129.48 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.485 HG12 HG13 ' A' ' 81' ' ' ILE . 15.4 t -92.03 132.17 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -122.23 -46.92 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -142.92 142.23 31.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.57 HG22 ' HE1' ' A' ' 96' ' ' MET . 34.2 mt -135.61 102.17 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 1.4 t-20 85.99 -35.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.09 -25.67 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.495 ' H ' HD12 ' A' ' 79' ' ' ILE . 3.4 mp -74.8 150.19 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -81.78 148.41 28.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.491 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.6 mm -118.15 -41.47 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.25 107.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.18 -14.72 30.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -74.77 157.37 35.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.1 t0 -81.38 137.35 35.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.888 HG23 HG23 ' A' ' 43' ' ' VAL . 7.8 p -41.11 -45.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -44.39 84.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.2 mt-10 -49.01 -50.63 35.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.491 ' CG2' HG23 ' A' ' 81' ' ' ILE . 53.7 t -54.95 -51.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.657 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 14.4 m-85 -57.85 -37.14 73.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.79 -25.31 63.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -74.83 -65.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 102' ' ' PHE . 1.4 mm? -43.9 -60.46 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -38.09 -55.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.91 -42.95 90.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.57 ' HE1' HG22 ' A' ' 76' ' ' ILE . 7.4 mtm -73.43 160.66 31.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.453 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 1.9 p80 -161.44 150.09 15.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.628 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 97.51 -162.97 21.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.26 97.38 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 110.408 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -95.36 137.13 34.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -90.37 106.46 18.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 93' ' ' LEU . 58.3 m-85 -93.06 119.31 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -104.61 94.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.532 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -136.77 159.93 40.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.807 HG12 HG12 ' A' ' 26' ' ' VAL . 9.8 mt -108.96 130.17 23.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.82 5.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 5.5 t . . . . . 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.974 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.307 0 N-CA-C 110.285 -0.265 . . . . 0.0 110.285 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.2 123.19 20.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.403 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.661 HG12 ' CG1' ' A' ' 105' ' ' ILE . 6.2 m -108.21 148.22 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -108.5 115.42 30.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.53 142.31 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -147.92 122.44 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 1.4 mtt180 -97.66 112.99 24.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.682 HD11 ' HB2' ' A' ' 66' ' ' LEU . 83.3 mt -108.4 138.35 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.19 118.54 32.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 98' ' ' GLY . 8.0 mtpm? -124.32 122.86 38.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.541 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -63.63 169.69 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -75.7 0.6 17.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -144.62 28.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.541 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -115.85 126.17 27.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 162.67 36.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.3 tp -72.38 -41.4 66.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.63 38.59 93.96 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.18 117.41 8.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.794 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -86.39 152.15 22.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.679 HG12 HD13 ' A' ' 52' ' ' ILE . 4.3 m -135.21 157.17 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -109.63 158.22 18.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.72 107.04 19.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.2 mm-40 -94.11 164.83 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.572 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.9 mmm -21.21 -57.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -155.98 25.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.6 m -132.68 153.24 51.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.3 t -103.95 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.8 mp -101.56 150.12 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.679 HD13 HG12 ' A' ' 43' ' ' VAL . 13.0 mm -66.48 145.68 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 p -117.44 -50.27 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 9.2 ttt180 -142.5 161.91 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 34.8 mm -125.98 117.98 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.77 145.85 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 137.41 36.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.67 -6.16 83.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.57 141.52 26.71 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.53 -35.8 9.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -59.56 -53.39 58.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.15 -55.83 21.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -40.35 -64.93 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 p -61.63 -42.36 98.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.77 43.9 26.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.682 ' HB2' HD11 ' A' ' 31' ' ' ILE . 28.8 mt -111.04 -0.65 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.614 ' CD2' HD21 ' A' ' 104' ' ' LEU . 7.8 mt -129.76 123.75 31.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -134.59 155.67 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -58.0 112.85 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.59 40.31 0.94 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -130.81 120.18 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 23.3 tt0 -86.28 134.6 33.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.727 HG11 HD11 ' A' ' 76' ' ' ILE . 14.3 t -99.16 138.5 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.646 HD11 HD11 ' A' ' 105' ' ' ILE . 45.8 mt -121.24 -53.49 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -136.73 147.85 46.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.727 HD11 HG11 ' A' ' 73' ' ' VAL . 60.8 mt -140.91 105.69 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 69.91 9.63 7.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.63 -29.3 6.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.595 HG21 HD21 ' A' ' 92' ' ' LEU . 3.6 mp -73.92 138.45 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.05 165.31 25.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.544 HG23 ' CG2' ' A' ' 89' ' ' VAL . 4.8 mm -135.25 -46.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.25 116.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.65 -40.8 2.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -48.84 149.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 8.1 t70 -79.54 158.18 27.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.469 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 20.5 m -53.84 -46.32 63.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.12 -47.96 83.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -51.53 42.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.544 ' CG2' HG23 ' A' ' 81' ' ' ILE . 37.4 t -58.85 -55.08 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.618 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 20.3 m-85 -53.39 -43.09 67.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.71 -30.51 70.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.595 HD21 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -66.13 -68.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.5 mm? -45.54 -60.54 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 t -38.99 -47.94 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.74 -44.67 89.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 93' ' ' LEU . 15.4 mtm -76.26 165.2 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.11 151.34 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 99.62 -168.99 21.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.9 m -65.65 99.62 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 0.735 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.466 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -98.37 137.39 37.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.2 m -89.16 99.59 12.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.472 ' HB2' HG23 ' A' ' 29' ' ' VAL . 65.8 m-85 -86.69 117.59 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 4.1 t -107.28 94.13 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.614 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -133.86 158.79 42.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.661 ' CG1' HG12 ' A' ' 26' ' ' VAL . 2.5 mt -107.38 132.2 21.14 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -74.97 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.453 -0.288 0 N-CA-C 110.299 -0.26 . . . . 0.0 110.299 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.08 115.44 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.919 HG12 ' CG1' ' A' ' 105' ' ' ILE . 33.1 m -94.36 155.3 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -114.03 108.02 16.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.942 HG12 HG22 ' A' ' 103' ' ' VAL . 39.9 mt -81.66 127.39 39.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.1 119.85 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HB3' HG22 ' A' ' 99' ' ' THR . 93.9 mtt180 -93.0 113.73 26.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.84 HD11 ' HB2' ' A' ' 66' ' ' LEU . 36.1 mt -113.11 149.79 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -96.64 120.37 36.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.662 ' CB ' HD11 ' A' ' 100' ' ' LEU . 4.8 tttt -122.25 118.05 27.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.657 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -62.69 170.05 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -78.88 5.29 11.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -152.4 25.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.657 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -108.32 124.13 35.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.61 29.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.11 -54.67 36.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.43 37.69 40.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.69 122.7 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -85.8 154.43 21.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.981 HG23 HG22 ' A' ' 86' ' ' VAL . 13.9 m -138.61 156.39 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 13.9 mtp-105 -104.07 173.66 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.45 98.58 7.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.8 OUTLIER -87.42 164.65 16.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.557 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.3 mmm -22.77 -58.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -153.4 23.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.2 m -132.54 153.51 50.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.4 t -105.75 107.44 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.2 mp -106.99 153.01 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.638 HD13 HG12 ' A' ' 43' ' ' VAL . 31.2 mm -65.99 141.42 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.503 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 3.2 p -112.59 -42.7 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.957 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 1.2 ttt-85 -158.66 162.85 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.459 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 44.8 mm -121.85 121.36 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 t -85.87 146.59 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -78.66 150.01 32.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' CE ' ' A' ' 63' ' ' LYS . . . 74.31 3.48 65.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.53 149.76 24.99 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.74 -26.37 61.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -73.7 -55.39 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 13.0 tt0 -61.02 -54.65 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' GLU . 16.2 mttt -39.77 -63.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.2 p -64.82 -31.2 72.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.89 36.56 93.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.84 ' HB2' HD11 ' A' ' 31' ' ' ILE . 16.7 mt -96.23 -13.84 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.626 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.5 mm? -104.01 132.72 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -133.38 135.57 44.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.591 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 57.7 mt-10 -52.01 134.49 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.47 10.26 57.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.59 132.22 40.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.746 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 36.6 tt0 -99.41 137.66 37.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.854 ' C ' HD13 ' A' ' 74' ' ' LEU . 12.5 t -103.93 142.79 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.854 HD13 ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -126.19 -45.36 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -142.86 142.23 31.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.567 HD11 HG11 ' A' ' 73' ' ' VAL . 28.0 mt -136.74 109.0 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 70.0 18.03 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.65 -24.06 32.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 111.05 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.645 HG21 ' CD2' ' A' ' 92' ' ' LEU . 2.9 mp -71.59 137.22 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -73.44 144.76 46.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.572 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.1 mm -117.77 -42.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.7 122.84 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.09 -43.41 1.85 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 85' ' ' ASP . 34.6 mttm -53.82 131.37 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.9 t70 -55.56 -166.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.981 HG22 HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -85.44 -43.87 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -40.81 84.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 92' ' ' LEU . 3.9 mm-40 -52.98 -42.72 65.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.572 ' CG2' HG23 ' A' ' 81' ' ' ILE . 3.0 t -62.82 -46.9 95.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.672 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 13.8 m-85 -61.84 -38.1 86.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.5 -27.5 67.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.645 ' CD2' HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -69.18 -64.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.0 OUTLIER -48.08 -59.45 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.54 -47.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.14 -43.47 82.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 93' ' ' LEU . 16.0 mtm -74.95 165.32 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.1 161.98 31.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.569 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.34 -162.03 31.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.2 m -70.55 97.52 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.662 HD11 ' CB ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -91.72 136.83 32.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.508 HG23 HG23 ' A' ' 28' ' ' ILE . 18.5 m -92.22 99.69 12.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -84.82 116.72 23.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.942 HG22 HG12 ' A' ' 28' ' ' ILE . 9.4 t -106.92 100.21 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -142.46 161.96 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.919 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.2 mt -107.54 123.82 36.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 117.85 5.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.461 1.769 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 2.8 t . . . . . 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.981 -179.993 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.453 -0.304 0 N-CA-C 110.32 -0.252 . . . . 0.0 110.32 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.61 122.99 18.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.65 HG12 ' CG1' ' A' ' 105' ' ' ILE . 12.7 m -106.65 152.1 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -104.53 122.62 45.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.589 HG23 HG22 ' A' ' 101' ' ' THR . 5.3 mp -95.21 132.12 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.552 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -140.51 120.52 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -96.15 110.62 22.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.686 ' CG1' HD12 ' A' ' 66' ' ' LEU . 78.7 mt -102.36 139.63 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -92.21 103.79 16.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 98' ' ' GLY . 7.9 tttt -105.18 125.23 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . -95.88 133.75 39.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -56.72 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 35' ' ' ARG . 1.4 m-20 152.69 -23.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -89.64 131.08 40.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 174.33 12.97 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . 0.6 HD22 HD12 ' A' ' 93' ' ' LEU . 3.4 tp -78.62 -58.58 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 73.29 31.74 60.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . 0.69 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -146.28 118.48 8.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -85.34 150.15 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.453 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.692 HG12 HD13 ' A' ' 52' ' ' ILE . 4.1 m -143.8 138.55 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.33 146.0 29.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . 0.515 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -95.28 104.99 16.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.644 ' HB2' HD13 ' A' ' 51' ' ' ILE . 1.1 mm-40 -79.67 171.44 15.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.637 ' C ' ' O ' ' A' ' 46' ' ' GLU . 6.1 mmt -11.14 -63.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 46' ' ' GLU . 66.9 m-20 -149.69 19.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . 0.53 ' HB3' HD11 ' A' ' 51' ' ' ILE . 3.9 m -134.55 133.87 40.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . 0.832 ' C ' HD12 ' A' ' 51' ' ' ILE . 1.7 p -88.78 114.92 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.832 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.8 mp -116.96 147.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.692 HD13 HG12 ' A' ' 43' ' ' VAL . 44.1 mm -58.26 141.78 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.91 -47.82 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -150.09 161.47 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.451 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 49.7 mm -127.18 120.78 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' GLY . 15.1 t -90.2 150.82 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -76.28 149.23 37.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.67 -0.6 60.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -80.77 131.71 10.66 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.44 -38.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . 0.69 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -61.96 -54.33 43.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' GLY . 11.1 tt0 -61.1 -58.21 9.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -41.73 -65.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -59.6 -27.41 66.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 58.05 43.11 95.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.686 HD12 ' CG1' ' A' ' 31' ' ' ILE . 27.6 mt -104.68 -15.19 15.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.684 ' CD2' HD11 ' A' ' 31' ' ' ILE . 3.2 mm? -105.73 131.96 52.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -133.49 136.35 45.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -49.19 122.03 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 51' ' ' ILE . . . 107.17 -1.54 35.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 1.1 m-20 -79.3 124.95 28.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 28.8 tt0 -91.05 131.26 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.657 ' HB ' HG13 ' A' ' 50' ' ' VAL . 19.3 t -99.99 138.39 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.538 HD11 HD11 ' A' ' 105' ' ' ILE . 9.8 mt -126.25 -43.67 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -142.58 135.95 28.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.815 HG21 HD21 ' A' ' 93' ' ' LEU . 10.4 mt -122.5 102.11 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 1.6 t-20 86.23 -37.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.91 -26.09 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.532 ' H ' HD12 ' A' ' 79' ' ' ILE . 3.2 mp -75.79 144.63 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 155.86 22.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.93 HD13 HG22 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -134.73 -56.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -42.73 121.53 2.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.2 -30.66 9.93 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . 0.556 ' HE3' HD11 ' A' ' 92' ' ' LEU . 9.8 mttp -64.21 159.19 21.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . 0.425 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 20.5 t0 -85.63 158.82 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.583 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 10.4 m -53.4 -47.06 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.54 -45.65 88.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 92' ' ' LEU . 7.1 mm-40 -61.64 -53.3 57.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.93 HG22 HD13 ' A' ' 81' ' ' ILE . 39.2 t -54.09 -37.12 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.614 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 15.6 m-85 -74.85 -67.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.07 -29.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.556 HD11 ' HE3' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -57.38 -66.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.815 HD21 HG21 ' A' ' 76' ' ' ILE . 83.6 mt -49.33 -46.0 46.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.72 -56.32 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -40.22 95.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.598 ' HE2' HD23 ' A' ' 93' ' ' LEU . 20.0 mtm -77.67 176.32 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 35' ' ' ARG . 1.1 p80 -177.96 177.23 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.611 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 75.52 -165.82 54.51 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.8 m -65.67 97.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.18 134.01 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.589 HG22 HG23 ' A' ' 28' ' ' ILE . 43.9 m -89.35 112.68 23.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.438 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.552 ' HB2' HG23 ' A' ' 29' ' ' VAL . 45.6 m-85 -95.22 121.46 36.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.99 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.53 HD21 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -136.73 157.77 46.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.65 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.1 mt -102.86 128.65 27.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.67 5.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.6 t . . . . . 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 -179.956 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER . . . . . 0 N--CA 1.453 -0.318 0 N-CA-C 110.318 -0.252 . . . . 0.0 110.318 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.93 121.18 20.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' VAL . . . . . 0.607 HG12 HD12 ' A' ' 74' ' ' LEU . 12.8 m -103.0 140.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -105.98 111.43 24.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ILE . . . . . 0.606 HG23 HG23 ' A' ' 101' ' ' THR . 4.3 mp -83.78 140.54 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' VAL . . . . . 0.623 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -139.7 117.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -82.8 101.68 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.591 HG12 HD23 ' A' ' 66' ' ' LEU . 55.2 mt -99.19 134.37 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.71 111.57 23.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLY . 0.7 OUTLIER -116.97 144.8 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . 0.618 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -91.74 171.58 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -85.25 25.76 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -172.76 34.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ILE . . . . . 0.618 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -114.78 130.5 24.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.85 25.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.34 -56.0 27.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' GLY . . . . . 0.41 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 65.56 42.09 95.79 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.16 . . . . 0.0 111.034 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.09 121.13 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.2 m -89.86 146.85 24.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 HD13 ' A' ' 52' ' ' ILE . 3.8 m -139.91 152.47 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.424 ' CG ' ' CB ' ' A' ' 53' ' ' SER . 33.5 mtp180 -101.84 172.3 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.94 98.27 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . 0.559 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.0 OUTLIER -81.49 164.6 21.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' MET . . . . . 0.559 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.6 mmt -22.76 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -151.19 22.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.4 m -132.34 153.89 50.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.1 t -106.08 100.3 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 2.7 mp -99.38 151.8 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ILE . . . . . 0.572 HD13 HG12 ' A' ' 43' ' ' VAL . 13.8 mm -67.66 145.82 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' SER . . . . . 0.424 ' CB ' ' CG ' ' A' ' 44' ' ' ARG . 1.2 p -115.4 -45.8 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -157.24 160.96 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 45.8 mm -121.88 121.92 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' VAL . . . . . 0.41 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 13.0 t -82.36 136.74 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.33 112.69 19.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.74 -31.38 3.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.83 -178.92 10.27 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' A' ' 64' ' ' SER . . . -73.27 -46.73 48.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.11 -49.52 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -47.14 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' LYS . . . . . 0.456 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -39.42 -66.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' SER . . . . . 0.855 ' O ' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -44.62 -46.2 9.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.25 12.98 26.53 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' LEU . . . . . 0.855 HD22 ' O ' ' A' ' 64' ' ' SER . 2.1 mm? -75.72 -22.19 56.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LEU . . . . . 0.79 HD23 HD21 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -103.53 132.99 49.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -134.63 142.75 46.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.653 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -49.65 120.65 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.79 -2.66 25.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -83.69 135.59 34.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 35.4 tt0 -101.04 133.34 45.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' VAL . . . . . 0.578 ' CG1' HG21 ' A' ' 81' ' ' ILE . 21.9 t -91.84 136.12 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LEU . . . . . 0.607 HD12 HG12 ' A' ' 26' ' ' VAL . 48.2 mt -122.37 -47.75 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt-10 -149.08 144.07 26.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ILE . . . . . 0.749 HG21 HD21 ' A' ' 93' ' ' LEU . 33.8 mt -135.44 104.89 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.51 4.45 4.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.76 -24.59 8.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 3.2 mp -71.25 139.21 20.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.84 148.05 40.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . 0.578 HG21 ' CG1' ' A' ' 73' ' ' VAL . 2.7 mm -124.24 -44.81 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 106.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.59 -26.44 9.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.57 1.169 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -64.11 -172.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -120.65 161.8 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.372 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' VAL . . . . . 0.572 HG12 HG23 ' A' ' 43' ' ' VAL . 35.5 m -54.23 -50.16 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ASN . . . . . 0.473 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -56.67 -47.64 79.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' GLU . . . . . 0.547 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -58.3 -51.91 67.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.565 HG22 HG23 ' A' ' 81' ' ' ILE . 38.8 t -56.08 -43.74 76.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' PHE . . . . . 0.522 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 21.2 m-85 -66.17 -60.75 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.9 -33.03 22.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -58.85 -71.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' LEU . . . . . 0.749 HD21 HG21 ' A' ' 76' ' ' ILE . 52.4 mt -48.52 -52.08 24.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.23 -50.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.54 -42.42 91.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 93' ' ' LEU . 20.4 mtm -76.34 167.31 22.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -165.93 166.64 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 85.27 -166.85 40.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 21.9 m -65.67 97.53 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 149.96 20.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' THR . . . . . 0.606 HG23 HG23 ' A' ' 28' ' ' ILE . 53.4 m -104.6 100.36 10.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' PHE . . . . . 0.623 ' HB2' HG23 ' A' ' 29' ' ' VAL . 51.2 m-85 -87.42 121.67 30.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' VAL . . . . . 0.578 HG22 HG13 ' A' ' 28' ' ' ILE . 62.1 t -107.3 94.82 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' LEU . . . . . 0.79 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -136.22 164.18 28.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ILE . . . . . 0.409 HD11 HD11 ' A' ' 74' ' ' LEU . 16.0 mt -112.02 130.33 23.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 118.84 5.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.6 t . . . . . 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.987 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 N-CA-C 111.004 -0.839 . . . . 0.0 111.004 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -173.23 117.29 0.29 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.472 0.748 . . . . 0.0 110.003 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -173.1 160.41 4.13 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.469 1.106 . . . . 0.0 110.035 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -108.65 -120.13 4.37 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.509 1.131 . . . . 0.0 110.992 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.1 t -147.4 -55.57 0.23 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.465 0.744 . . . . 0.0 109.996 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.5 m 60.4 116.8 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.481 1.113 . . . . 0.0 109.997 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 128.05 -152.74 19.14 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.516 1.135 . . . . 0.0 111.032 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 84.81 1.61 Allowed 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.491 1.785 . . . . 0.0 110.969 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 7.4 mt -87.7 136.43 23.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.462 1.101 . . . . 0.0 109.335 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 22.7 p 45.19 -167.25 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.504 1.128 . . . . 0.0 110.401 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -106.82 92.76 4.23 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.469 1.106 . . . . 0.0 109.305 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.426 ' O ' ' CG ' ' A' ' 12' ' ' GLU . 3.6 pt-20 -79.41 62.64 3.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.481 1.113 . . . . 0.0 110.294 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.443 ' C ' ' CG2' ' A' ' 14' ' ' VAL . 0.0 OUTLIER -154.33 70.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.095 . . . . 0.0 110.321 179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.443 ' CG2' ' C ' ' A' ' 13' ' ' ARG . 2.6 t -151.82 21.69 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.456 1.097 . . . . 0.0 109.301 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 28.4 m-85 -94.7 51.73 1.44 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.504 1.127 . . . . 0.0 111.008 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.1 mt-10 71.1 141.3 0.05 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.522 1.138 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 m -53.38 136.89 36.7 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.451 1.095 . . . . 0.0 109.98 179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.405 ' O ' ' CD1' ' A' ' 21' ' ' TYR . 5.0 mp -101.29 146.14 10.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.499 1.124 . . . . 0.0 109.294 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.521 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -61.05 -53.07 48.05 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.472 1.108 . . . . 0.0 111.003 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.1 t60 -65.63 100.15 0.5 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.477 0.751 . . . . 0.0 109.638 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.654 ' CD1' HG21 ' A' ' 26' ' ' VAL . 1.4 m-85 -102.59 116.0 31.72 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.531 1.145 . . . . 0.0 110.997 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 37.82 -113.93 0.26 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.483 1.114 . . . . 0.0 111.02 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -119.56 48.33 0.95 Allowed Glycine 0 CA--C 1.529 0.946 0 N-CA-C 111.031 -0.828 . . . . 0.0 111.031 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -147.35 -167.59 2.82 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.43 0.723 . . . . 0.0 110.305 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.14 123.07 21.36 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.544 1.152 . . . . 0.0 110.436 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.654 HG21 ' CD1' ' A' ' 21' ' ' TYR . 2.8 m -107.73 149.24 11.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.567 1.167 . . . . 0.0 109.32 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tttp -106.61 124.62 49.87 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.118 . . . . 0.0 109.281 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.459 ' CG2' HG23 ' A' ' 101' ' ' THR . 5.1 mp -98.37 133.49 40.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.519 1.137 . . . . 0.0 109.285 179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.595 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -141.72 118.08 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.474 1.109 . . . . 0.0 109.267 -179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 3.8 mtt180 -89.97 113.5 25.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.45 1.094 . . . . 0.0 110.267 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.714 ' CG1' HD12 ' A' ' 66' ' ' LEU . 25.9 mt -109.65 135.24 49.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.51 1.132 . . . . 0.0 109.327 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -94.19 118.9 32.23 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.459 1.1 . . . . 0.0 110.297 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.44 ' O ' ' N ' ' A' ' 98' ' ' GLY . 8.5 mtpm? -123.31 118.96 28.74 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.328 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.63 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -60.05 170.03 1.35 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.492 1.12 . . . . 0.0 109.244 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 21.6 mtm180 -74.26 -0.71 17.83 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.27 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.4 p30 -147.49 33.98 0.87 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.274 -179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.63 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mm -117.8 126.47 27.3 Favored Pre-proline 0 C--N 1.325 -0.46 0 O-C-N 124.461 1.1 . . . . 0.0 109.297 -179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 162.34 37.26 Favored 'Trans proline' 0 C--N 1.359 1.12 0 O-C-N 124.512 1.796 . . . . 0.0 111.0 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.714 HD22 ' CD1' ' A' ' 93' ' ' LEU . 35.1 tp -71.85 -51.15 23.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.13 . . . . 0.0 109.291 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 71.79 37.01 61.37 Favored Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.529 1.143 . . . . 0.0 110.94 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -144.52 120.76 10.86 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 0.769 . . . . 0.0 109.239 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.413 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.0 m -86.09 150.62 24.31 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.948 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.538 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 3.2 m -142.17 143.83 25.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.513 1.133 . . . . 0.0 109.309 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.83 165.89 10.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.472 1.108 . . . . 0.0 110.297 179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -97.22 99.63 11.1 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.519 1.137 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.586 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.4 OUTLIER -80.9 164.71 22.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.491 1.119 . . . . 0.0 110.32 -179.991 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.586 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.3 mmt -19.26 -59.97 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 111.073 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -153.58 23.13 0.53 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.501 1.125 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.2 m -132.99 153.52 51.39 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.451 1.094 . . . . 0.0 110.033 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.45 HG11 HG21 ' A' ' 89' ' ' VAL . 63.1 t -101.37 97.08 5.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.566 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.9 mp -99.79 157.9 3.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.522 1.139 . . . . 0.0 109.293 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.515 HD13 HG12 ' A' ' 43' ' ' VAL . 13.2 mm -70.31 145.65 12.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.524 1.14 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -113.99 -45.92 3.04 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.534 1.146 . . . . 0.0 109.954 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.477 ' O ' HD13 ' A' ' 55' ' ' ILE . 0.5 OUTLIER -155.08 161.5 41.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.482 1.114 . . . . 0.0 110.32 -179.99 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.477 HD13 ' O ' ' A' ' 54' ' ' ARG . 36.9 mm -121.28 124.89 72.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.52 0 O-C-N 124.551 1.157 . . . . 0.0 109.33 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -89.33 146.49 6.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.542 1.151 . . . . 0.0 109.353 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.0 tppt? -77.79 150.62 34.28 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.524 1.14 . . . . 0.0 109.288 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 71.86 5.76 62.0 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.462 1.101 . . . . 0.0 110.943 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.74 152.4 24.92 Favored Glycine 0 CA--C 1.529 0.96 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.04 -31.37 65.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.484 0.755 . . . . 0.0 109.34 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -66.54 -57.64 6.87 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.441 1.088 . . . . 0.0 109.332 179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 12.9 tt0 -60.62 -54.66 42.67 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.461 1.1 . . . . 0.0 110.306 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 8.3 mttm -40.18 -67.79 0.21 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.31 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.6 p -58.24 -36.36 73.07 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.467 1.104 . . . . 0.0 109.976 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.84 44.88 88.03 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.5 1.125 . . . . 0.0 110.982 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.714 HD12 ' CG1' ' A' ' 31' ' ' ILE . 7.9 mt -115.47 1.17 13.59 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.488 0.758 . . . . 0.0 109.332 179.943 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.592 ' CD2' HD21 ' A' ' 104' ' ' LEU . 8.1 mt -127.24 127.97 45.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.29 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -133.65 156.05 48.58 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.485 1.116 . . . . 0.0 109.615 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 36.1 mt-10 -60.93 124.35 20.21 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.543 1.152 . . . . 0.0 110.278 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.85 -11.69 22.82 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.539 1.15 . . . . 0.0 110.982 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.695 ' CG ' HD13 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -71.3 136.42 47.89 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.484 0.756 . . . . 0.0 109.287 -179.934 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.488 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 21.8 tt0 -104.31 124.17 48.69 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.269 -179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.439 ' CG1' HG21 ' A' ' 81' ' ' ILE . 18.6 t -86.81 134.05 28.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.118 . . . . 0.0 109.282 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 48.8 mt -122.03 -56.15 1.85 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.456 1.097 . . . . 0.0 109.261 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.414 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.2 tt0 -137.62 142.35 41.23 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.466 1.104 . . . . 0.0 110.298 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.726 HG21 HD21 ' A' ' 93' ' ' LEU . 19.3 mt -133.93 103.12 4.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.421 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 0.9 OUTLIER 77.05 1.23 3.15 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.512 1.132 . . . . 0.0 109.293 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 121.49 -25.67 6.87 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.489 1.118 . . . . 0.0 111.012 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.414 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 3.3 mp -72.12 138.17 22.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.481 0.754 . . . . 0.0 109.329 179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -72.81 152.93 41.31 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.472 1.108 . . . . 0.0 110.323 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.581 ' CD1' HG22 ' A' ' 89' ' ' VAL . 3.0 mm -126.55 -44.55 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.478 1.111 . . . . 0.0 109.281 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.66 114.29 0.8 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.456 1.098 . . . . 0.0 110.288 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 105.78 -31.52 8.34 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.537 1.148 . . . . 0.0 110.967 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 34.0 mttm -56.97 178.61 0.06 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.501 0.765 . . . . 0.0 109.293 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.9 t0 -112.42 154.9 25.09 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.527 1.142 . . . . 0.0 109.267 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.518 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 27.0 m -49.9 -49.37 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.331 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.453 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -57.28 -47.65 80.9 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.482 1.114 . . . . 0.0 109.27 -179.968 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.608 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -56.68 -51.74 67.6 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.487 1.117 . . . . 0.0 110.308 179.994 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.581 HG22 ' CD1' ' A' ' 81' ' ' ILE . 23.6 t -57.05 -45.6 84.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.489 1.118 . . . . 0.0 109.295 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.538 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 20.1 m-85 -64.67 -46.63 81.63 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.54 1.15 . . . . 0.0 110.972 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.44 -26.79 68.69 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.511 1.132 . . . . 0.0 109.28 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.608 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -69.66 -69.81 0.32 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 109.267 -179.957 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.726 HD21 HG21 ' A' ' 76' ' ' ILE . 62.9 mt -48.47 -56.93 6.95 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.482 1.114 . . . . 0.0 109.339 179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 31.9 t -41.75 -40.78 2.12 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.428 1.08 . . . . 0.0 109.991 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 6.6 t70 -72.95 -41.92 63.95 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.44 1.087 . . . . 0.0 109.338 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.455 ' N ' ' O ' ' A' ' 93' ' ' LEU . 20.8 mtm -77.81 162.42 26.91 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.471 1.107 . . . . 0.0 110.976 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -159.18 148.36 18.49 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.462 1.101 . . . . 0.0 109.594 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.44 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 103.32 -170.09 19.19 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.483 1.114 . . . . 0.0 110.964 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.3 m -67.17 102.16 1.0 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.488 0.758 . . . . 0.0 110.386 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.463 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.5 OUTLIER -100.39 136.82 39.69 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.955 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.459 HG23 ' CG2' ' A' ' 28' ' ' ILE . 54.9 m -88.08 99.93 12.55 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.455 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.595 ' HB2' HG23 ' A' ' 29' ' ' VAL . 60.0 m-85 -87.11 116.92 25.5 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 3.0 t -104.51 94.8 3.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.501 1.126 . . . . 0.0 109.318 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.695 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -134.03 161.91 33.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.484 1.115 . . . . 0.0 109.332 -179.998 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 6.8 mt -105.19 128.84 25.84 Favored Pre-proline 0 C--N 1.324 -0.502 0 O-C-N 124.49 1.119 . . . . 0.0 109.303 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 117.96 5.09 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.5 1.789 . . . . 0.0 110.995 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 30.9 t -75.6 74.23 2.61 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.444 1.09 . . . . 0.0 110.014 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.6 m -78.22 54.5 1.38 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.983 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -62.09 119.54 18.39 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.11 . . . . 0.0 111.009 -179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 118.5 5.29 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.519 1.799 . . . . 0.0 111.009 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -177.42 105.2 0.05 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.465 1.103 . . . . 0.0 109.997 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -72.89 131.18 41.91 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.497 1.123 . . . . 0.0 110.013 179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.037 0 O-C-N 124.478 1.111 . . . . 0.0 110.993 -179.99 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 N-CA-C 111.01 -0.836 . . . . 0.0 111.01 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -125.85 172.29 9.99 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.506 0.768 . . . . 0.0 109.972 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -93.6 -63.74 1.17 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.443 1.089 . . . . 0.0 110.03 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 137.57 -147.94 19.53 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -142.96 175.84 9.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.533 0.784 . . . . 0.0 109.981 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.0 t -150.27 171.09 17.51 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.953 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.81 77.79 0.04 OUTLIER Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.476 1.11 . . . . 0.0 111.037 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 -167.27 0.41 Allowed 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.506 1.793 . . . . 0.0 110.969 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.0 mt -73.41 130.85 35.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 109.279 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 14.1 t -122.08 169.91 10.38 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.449 1.093 . . . . 0.0 110.361 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 66.9 m-20 -134.32 33.73 3.31 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.467 1.104 . . . . 0.0 109.272 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.8 pt-20 -92.25 49.49 1.52 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.541 1.151 . . . . 0.0 110.28 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.556 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 0.0 OUTLIER -158.25 77.19 0.79 Allowed 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.489 1.118 . . . . 0.0 110.295 -179.992 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 4.3 t -142.69 20.5 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 O-C-N 124.456 1.097 . . . . 0.0 109.316 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.556 ' CE1' ' HA ' ' A' ' 13' ' ' ARG . 2.0 p90 -114.74 153.13 30.86 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.441 1.088 . . . . 0.0 110.998 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 9.5 pt-20 -91.92 -0.77 57.5 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.549 1.155 . . . . 0.0 110.33 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.566 ' C ' HD12 ' A' ' 18' ' ' ILE . 0.0 OUTLIER -112.17 94.9 5.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.539 1.149 . . . . 0.0 110.038 179.979 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.791 ' N ' HD12 ' A' ' 18' ' ' ILE . 1.7 mp -102.75 146.09 11.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.485 1.116 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.468 ' O ' HG23 ' A' ' 26' ' ' VAL . . . -40.96 -49.76 4.25 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.528 1.142 . . . . 0.0 110.995 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 32.5 m80 -125.34 84.45 2.28 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.502 0.766 . . . . 0.0 109.562 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.574 ' OH ' HG11 ' A' ' 103' ' ' VAL . 11.4 m-30 -38.85 144.27 0.12 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.51 1.131 . . . . 0.0 111.042 179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -50.49 130.25 29.9 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.521 1.138 . . . . 0.0 111.018 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 95.72 -85.76 0.93 Allowed Glycine 0 CA--C 1.53 0.99 0 N-CA-C 110.964 -0.855 . . . . 0.0 110.964 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -80.12 -163.3 0.53 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 0.755 . . . . 0.0 110.311 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -137.49 127.64 26.07 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.496 1.122 . . . . 0.0 110.434 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.552 HG11 ' CD2' ' A' ' 21' ' ' TYR . 34.0 m -112.91 149.6 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.54 1.15 . . . . 0.0 109.323 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.1 tttt -113.54 110.68 20.65 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.148 . . . . 0.0 109.299 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.782 HG12 HG22 ' A' ' 103' ' ' VAL . 65.3 mt -83.17 132.06 32.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.502 1.127 . . . . 0.0 109.322 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.442 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -134.02 118.63 29.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.964 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -88.38 108.83 19.56 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.1 . . . . 0.0 110.292 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.784 HD11 ' HB2' ' A' ' 66' ' ' LEU . 69.2 mt -105.17 137.52 34.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.471 1.107 . . . . 0.0 109.267 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -87.88 129.38 35.24 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 110.283 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.619 ' HB3' HD11 ' A' ' 100' ' ' LEU . 0.7 OUTLIER -131.27 135.5 47.38 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.52 1.137 . . . . 0.0 109.266 -179.98 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.546 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -80.87 170.11 16.7 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.485 1.115 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.424 ' CG ' ' O ' ' A' ' 35' ' ' ARG . 6.8 ttt180 -79.88 5.63 13.26 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.476 1.11 . . . . 0.0 110.308 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -154.68 35.13 0.4 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.345 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.546 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -117.43 125.43 28.14 Favored Pre-proline 0 C--N 1.326 -0.436 0 O-C-N 124.485 1.115 . . . . 0.0 109.278 -179.982 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 131.89 14.84 Favored 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.463 1.77 . . . . 0.0 110.981 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.46 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 1.1 tp -41.3 -58.51 1.81 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 77.75 36.13 33.84 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.522 1.139 . . . . 0.0 111.001 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.31 121.45 10.79 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.486 0.757 . . . . 0.0 109.302 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.0 m -87.55 156.34 19.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.491 1.119 . . . . 0.0 110.437 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.744 HG23 HG12 ' A' ' 86' ' ' VAL . 2.0 m -139.59 154.76 24.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.514 0 O-C-N 124.506 1.129 . . . . 0.0 109.286 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -109.88 166.07 11.21 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.484 1.115 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -101.9 98.03 8.31 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.491 1.119 . . . . 0.0 109.332 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.565 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.3 mm-40 -82.32 164.84 20.83 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.14 . . . . 0.0 110.272 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.565 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.2 mmt -22.31 -58.82 0.03 OUTLIER 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.476 1.11 . . . . 0.0 110.973 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -152.31 23.27 0.63 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.43 1.081 . . . . 0.0 109.294 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 62.5 m -132.42 153.3 50.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 1.129 . . . . 0.0 110.001 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.492 ' C ' HD12 ' A' ' 51' ' ' ILE . 61.3 t -102.27 92.79 2.45 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.509 1.131 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.602 ' N ' HD12 ' A' ' 51' ' ' ILE . 1.6 mp -97.45 154.11 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.292 -179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 4.2 mm -63.62 150.77 9.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.451 1.094 . . . . 0.0 109.292 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 10.6 p -121.19 -44.05 2.4 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.53 1.144 . . . . 0.0 110.016 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.405 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 15.9 ttt180 -153.4 160.96 42.74 Favored 'General case' 0 C--N 1.324 -0.527 0 O-C-N 124.56 1.163 . . . . 0.0 110.296 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.449 ' CG2' ' HB2' ' A' ' 62' ' ' GLU . 28.0 mm -123.84 118.0 52.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.492 1.12 . . . . 0.0 109.31 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.4 t -81.68 148.18 5.61 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.534 1.147 . . . . 0.0 109.263 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 23.9 ttpt -75.16 152.92 38.41 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.11 . . . . 0.0 109.296 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 65.04 9.82 43.17 Favored Glycine 0 CA--C 1.529 0.969 0 O-C-N 124.482 1.114 . . . . 0.0 111.031 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.03 131.58 10.49 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.563 ' HB3' ' NZ ' ' A' ' 33' ' ' LYS . . . -40.76 -35.85 0.54 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.283 -179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -68.06 -57.2 6.51 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.253 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 4.7 tt0 -53.47 -57.27 11.28 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.488 1.118 . . . . 0.0 110.249 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -39.61 -66.3 0.31 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.441 1.088 . . . . 0.0 109.291 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.418 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 9.8 p -59.64 -28.3 67.11 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.484 1.115 . . . . 0.0 109.991 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.445 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 59.84 19.02 48.62 Favored Glycine 0 CA--C 1.53 0.998 0 O-C-N 124.556 1.16 . . . . 0.0 111.031 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.784 ' HB2' HD11 ' A' ' 31' ' ' ILE . 33.2 mt -79.74 -9.54 59.66 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.529 0.782 . . . . 0.0 109.275 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.81 ' CD2' HD21 ' A' ' 104' ' ' LEU . 4.5 mt -122.63 128.82 51.15 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.514 1.134 . . . . 0.0 109.328 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -133.39 149.93 51.81 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 109.627 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 58.0 mt-10 -52.61 130.41 32.08 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.532 1.145 . . . . 0.0 110.339 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.82 -15.62 31.38 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.512 1.133 . . . . 0.0 111.039 -179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.792 ' CG ' HD13 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -66.05 143.27 57.45 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 0.773 . . . . 0.0 109.315 179.99 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.592 ' HG2' HD21 ' A' ' 74' ' ' LEU . 23.6 tt0 -110.05 117.77 34.64 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.499 1.125 . . . . 0.0 110.311 180.0 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.501 HG12 HG13 ' A' ' 81' ' ' ILE . 11.6 t -83.22 132.5 31.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.442 1.088 . . . . 0.0 109.304 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.672 HD22 ' NH1' ' A' ' 82' ' ' ARG . 23.9 mt -124.57 -52.63 1.7 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.502 1.126 . . . . 0.0 109.284 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -136.0 144.31 45.26 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.554 1.159 . . . . 0.0 110.304 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.412 HD11 HG11 ' A' ' 73' ' ' VAL . 51.6 mt -140.37 102.62 1.41 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 109.306 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 70.52 21.82 5.37 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.521 1.138 . . . . 0.0 109.313 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 102.83 -29.38 12.61 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.5 1.125 . . . . 0.0 111.007 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.49 HG21 ' CD2' ' A' ' 92' ' ' LEU . 4.4 mp -71.04 132.77 32.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -71.73 158.6 35.83 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.531 ' CD1' HG22 ' A' ' 89' ' ' VAL . 3.0 mm -130.02 -47.43 0.9 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.425 1.078 . . . . 0.0 109.278 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.672 ' NH1' HD22 ' A' ' 74' ' ' LEU . 2.5 ttt85 -38.15 122.06 1.01 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.494 1.121 . . . . 0.0 110.288 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 95.75 -41.46 2.45 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.521 1.138 . . . . 0.0 110.984 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 41.6 mttm -46.58 165.33 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.761 . . . . 0.0 109.323 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -97.78 159.4 14.95 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.458 1.099 . . . . 0.0 109.331 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.744 HG12 HG23 ' A' ' 43' ' ' VAL . 26.8 m -56.19 -51.95 56.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.54 1.15 . . . . 0.0 109.294 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.491 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -56.6 -47.15 80.23 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.535 1.147 . . . . 0.0 109.263 -179.951 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.559 ' O ' HD12 ' A' ' 92' ' ' LEU . 2.0 mm-40 -53.7 -50.51 65.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.52 1.137 . . . . 0.0 110.358 179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.531 HG22 ' CD1' ' A' ' 81' ' ' ILE . 5.5 t -59.0 -53.65 45.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.306 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 16.6 m-85 -53.7 -40.12 65.75 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 111.012 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 13.6 t0 -67.45 -30.76 70.57 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.543 1.152 . . . . 0.0 109.31 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.559 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -68.84 -67.11 0.49 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.311 179.972 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.475 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.8 mm? -42.86 -61.15 1.35 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.466 1.104 . . . . 0.0 109.289 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -39.19 -56.69 1.45 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 110.035 -179.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -56.28 -40.62 74.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.491 1.119 . . . . 0.0 109.32 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.475 ' N ' ' O ' ' A' ' 93' ' ' LEU . 8.7 mtm -79.32 162.59 25.5 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.54 1.15 . . . . 0.0 111.018 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -162.69 160.05 25.11 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.597 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 92.65 -162.08 26.4 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.507 1.13 . . . . 0.0 111.005 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.2 m -69.79 97.55 1.11 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.485 0.756 . . . . 0.0 110.442 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.619 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -91.26 137.85 32.04 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.469 1.106 . . . . 0.0 109.26 -179.932 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 63.5 m -93.49 99.39 11.87 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.527 1.142 . . . . 0.0 110.395 179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.442 ' HB2' HG23 ' A' ' 29' ' ' VAL . 73.6 m-85 -87.23 116.57 25.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.497 1.123 . . . . 0.0 110.986 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.782 HG22 HG12 ' A' ' 28' ' ' ILE . 5.1 t -108.04 94.39 3.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.448 1.092 . . . . 0.0 109.327 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.81 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -137.07 165.5 25.9 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.287 -179.987 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.543 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.8 mt -107.17 127.1 28.58 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.141 . . . . 0.0 109.321 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 114.63 4.07 Favored 'Trans proline' 0 C--N 1.36 1.173 0 O-C-N 124.47 1.774 . . . . 0.0 111.041 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 38.4 t -71.47 80.15 0.78 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.473 1.108 . . . . 0.0 109.965 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.27 54.53 1.11 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.514 1.134 . . . . 0.0 110.003 179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -124.42 75.49 0.39 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.498 1.124 . . . . 0.0 111.027 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 120.43 6.06 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.509 1.794 . . . . 0.0 111.001 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -100.39 102.47 13.69 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.499 1.125 . . . . 0.0 110.034 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 13.1 t -54.44 103.68 0.09 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 110.032 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 O-C-N 124.496 1.122 . . . . 0.0 111.026 179.988 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.034 0 N-CA-C 111.015 -0.834 . . . . 0.0 111.015 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.4 t -151.37 150.75 30.84 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.5 0.765 . . . . 0.0 109.996 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -74.57 85.92 2.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.011 179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -179.3 -60.43 0.08 OUTLIER Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.557 1.161 . . . . 0.0 110.951 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -164.19 109.94 1.03 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.463 0.743 . . . . 0.0 110.015 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.7 t -127.56 -66.57 0.87 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 110.02 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 169.17 156.58 10.79 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.528 1.143 . . . . 0.0 111.033 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 101.83 1.52 Allowed 'Trans proline' 0 C--N 1.36 1.157 0 O-C-N 124.543 1.812 . . . . 0.0 110.976 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.8 mt -63.0 156.77 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.458 1.099 . . . . 0.0 109.266 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 4.1 m -150.04 161.95 41.35 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.527 1.142 . . . . 0.0 110.378 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.2 m-20 -85.68 97.82 10.34 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.481 1.113 . . . . 0.0 109.356 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 6.9 pt-20 -80.43 56.9 2.68 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.514 1.134 . . . . 0.0 110.3 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -149.89 22.49 0.88 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.487 1.117 . . . . 0.0 110.285 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.492 HG12 ' O ' ' A' ' 14' ' ' VAL . 21.8 t -96.73 20.17 1.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.482 1.114 . . . . 0.0 109.318 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 54.8 m-85 -87.64 -164.93 1.17 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.512 1.132 . . . . 0.0 110.984 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -109.9 -157.96 0.63 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.449 1.093 . . . . 0.0 110.337 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 5.1 p -53.05 112.15 0.81 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.436 1.085 . . . . 0.0 109.977 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.47 HG22 ' N ' ' A' ' 19' ' ' GLY . 25.5 mm -79.78 166.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 109.283 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.47 ' N ' HG22 ' A' ' 18' ' ' ILE . . . -77.76 -65.31 1.92 Allowed Glycine 0 CA--C 1.531 1.048 0 O-C-N 124.464 1.103 . . . . 0.0 110.993 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.458 ' CD2' ' H ' ' A' ' 20' ' ' HIS . 0.3 OUTLIER -88.53 98.7 11.79 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.526 0.78 . . . . 0.0 109.584 -179.989 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.588 ' CE1' HG21 ' A' ' 26' ' ' VAL . 3.3 m-30 -68.66 60.44 0.09 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.529 1.143 . . . . 0.0 110.993 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . 47.98 95.65 0.01 OUTLIER Glycine 0 CA--C 1.53 1.028 0 O-C-N 124.494 1.121 . . . . 0.0 111.016 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 98.29 -76.51 0.58 Allowed Glycine 0 CA--C 1.53 0.984 0 N-CA-C 110.996 -0.842 . . . . 0.0 110.996 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.5 -172.14 1.41 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.486 0.756 . . . . 0.0 110.303 -179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -141.85 124.75 16.13 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.487 1.117 . . . . 0.0 110.375 -179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.69 ' HB ' HG12 ' A' ' 103' ' ' VAL . 3.0 m -110.12 142.53 22.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.486 1.116 . . . . 0.0 109.276 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 11.5 tttt -98.42 119.58 37.36 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.47 1.106 . . . . 0.0 109.321 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.884 HG23 HG23 ' A' ' 101' ' ' THR . 4.7 mp -91.89 117.5 35.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.554 HG12 HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -121.24 117.72 53.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.527 1.142 . . . . 0.0 109.301 -179.997 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.455 ' HB3' HG22 ' A' ' 99' ' ' THR . 16.8 mtt180 -93.7 111.06 22.67 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.517 1.136 . . . . 0.0 110.295 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.78 ' CG1' HD12 ' A' ' 66' ' ' LEU . 91.9 mt -107.34 140.99 23.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.463 1.102 . . . . 0.0 109.283 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 7.1 mt-10 -96.45 118.72 33.56 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.488 1.117 . . . . 0.0 110.301 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.521 ' HB2' HD11 ' A' ' 100' ' ' LEU . 24.6 mtpt -124.5 133.78 53.23 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.562 1.164 . . . . 0.0 109.311 179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.459 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -73.69 172.29 11.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.48 1.113 . . . . 0.0 109.302 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 20.8 mtt85 -82.05 19.98 1.07 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 110.326 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -166.71 31.74 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.544 1.152 . . . . 0.0 109.291 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.459 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -116.34 127.48 26.72 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.483 1.114 . . . . 0.0 109.305 -179.998 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 150.52 38.43 Favored 'Trans proline' 0 C--N 1.36 1.143 0 O-C-N 124.511 1.795 . . . . 0.0 111.006 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 51.0 tp -64.31 -56.84 11.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.477 1.111 . . . . 0.0 109.276 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.429 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 75.5 37.4 41.0 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.541 1.15 . . . . 0.0 110.959 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.447 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -143.71 117.89 9.53 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.474 0.75 . . . . 0.0 109.282 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.1 m -85.85 151.52 23.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.472 1.108 . . . . 0.0 110.415 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.491 HG23 HG12 ' A' ' 86' ' ' VAL . 2.5 m -135.62 151.91 30.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 O-C-N 124.546 1.154 . . . . 0.0 109.312 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.6 ptp180 -108.3 162.47 14.06 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.493 1.121 . . . . 0.0 110.279 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.2 t-20 -96.58 122.92 40.03 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.495 1.122 . . . . 0.0 109.295 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.594 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.9 mm-40 -110.31 164.84 12.28 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.594 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.8 mmt -18.76 -58.14 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.468 1.105 . . . . 0.0 111.01 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.439 ' N ' ' O ' ' A' ' 46' ' ' GLU . 24.6 m-20 -155.54 24.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.461 1.101 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 65.4 m -133.38 153.62 51.44 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.541 1.15 . . . . 0.0 110.014 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 73.2 t -104.22 97.12 5.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 109.301 -179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.511 HD13 ' HB2' ' A' ' 46' ' ' GLU . 2.7 mp -96.94 158.29 3.19 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.473 1.108 . . . . 0.0 109.328 179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 15.4 mm -69.88 146.13 12.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.543 1.152 . . . . 0.0 109.285 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 9.7 p -117.35 -43.76 2.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.469 1.106 . . . . 0.0 109.989 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.417 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 9.8 ttt180 -154.71 161.7 41.43 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.526 1.141 . . . . 0.0 110.31 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.417 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 45.2 mm -123.14 119.88 58.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.496 1.123 . . . . 0.0 109.319 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.429 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 5.5 t -83.63 145.65 8.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.56 1.163 . . . . 0.0 109.299 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -78.56 146.91 33.97 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 80.45 -4.17 69.62 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.495 1.122 . . . . 0.0 110.99 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -74.69 152.37 44.29 Favored Glycine 0 CA--C 1.53 1.012 0 N-CA-C 111.028 -0.829 . . . . 0.0 111.028 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -62.63 -25.14 67.96 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 0.76 . . . . 0.0 109.339 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -73.33 -53.14 11.53 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.28 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.406 ' O ' ' C ' ' A' ' 63' ' ' LYS . 11.0 tt0 -57.55 -58.87 6.39 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.525 1.141 . . . . 0.0 110.31 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.406 ' C ' ' O ' ' A' ' 62' ' ' GLU . 10.0 mttm -39.85 -66.93 0.26 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 87.8 p -57.54 -32.98 67.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.527 1.142 . . . . 0.0 110.015 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.32 44.13 97.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.544 1.152 . . . . 0.0 111.008 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.78 HD12 ' CG1' ' A' ' 31' ' ' ILE . 32.1 mt -104.77 -11.3 16.88 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.483 0.755 . . . . 0.0 109.246 -179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.619 ' CD2' HD11 ' A' ' 31' ' ' ILE . 3.3 mm? -109.75 128.14 55.09 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.483 1.114 . . . . 0.0 109.316 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.6 m170 -133.52 132.33 40.84 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.628 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.8 mt-10 -43.95 121.93 2.63 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.57 1.169 . . . . 0.0 110.244 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 113.05 -9.36 25.08 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.529 1.143 . . . . 0.0 111.022 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.605 ' CG ' HD13 ' A' ' 104' ' ' LEU . 0.4 OUTLIER -73.47 135.41 44.1 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.453 0.737 . . . . 0.0 109.287 -179.98 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.498 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.6 tt0 -104.5 128.38 52.43 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 1.124 . . . . 0.0 110.286 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.499 ' CG1' HG21 ' A' ' 81' ' ' ILE . 19.0 t -90.09 138.85 18.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.47 1.106 . . . . 0.0 109.296 180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.489 HD12 ' CG1' ' A' ' 26' ' ' VAL . 32.5 mt -125.71 -53.38 1.56 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.566 1.166 . . . . 0.0 109.309 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 tt0 -139.86 146.29 39.14 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.505 1.128 . . . . 0.0 110.307 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.468 HG22 ' HE1' ' A' ' 96' ' ' MET . 55.8 mt -138.89 114.4 9.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.528 1.143 . . . . 0.0 109.295 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.406 ' OD1' ' HA ' ' A' ' 100' ' ' LEU . 7.5 m-20 60.78 21.34 11.42 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.55 1.156 . . . . 0.0 109.325 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.87 -27.05 22.16 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.525 1.14 . . . . 0.0 111.016 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.464 ' H ' HD12 ' A' ' 79' ' ' ILE . 4.8 mp -70.98 136.33 26.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.495 0.762 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -73.31 153.88 40.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 1.102 . . . . 0.0 110.291 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.575 ' CD1' HG22 ' A' ' 89' ' ' VAL . 2.0 mm -128.84 -45.16 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.549 1.156 . . . . 0.0 109.321 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 1.4 ttp180 -42.21 116.81 0.88 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.268 179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.16 -36.47 4.17 Favored Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.495 1.122 . . . . 0.0 110.985 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.404 ' N ' ' O ' ' A' ' 81' ' ' ILE . 44.8 mttm -51.19 167.21 0.09 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.495 0.762 . . . . 0.0 109.261 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -101.34 160.39 14.46 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.492 1.12 . . . . 0.0 109.283 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.544 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 21.7 m -55.04 -51.07 57.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.502 1.126 . . . . 0.0 109.337 179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.503 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -57.39 -46.89 82.95 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.514 1.134 . . . . 0.0 109.235 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.522 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -55.04 -49.92 70.36 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.509 1.13 . . . . 0.0 110.242 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.575 HG22 ' CD1' ' A' ' 81' ' ' ILE . 3.9 t -60.54 -55.53 23.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.512 1.133 . . . . 0.0 109.278 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.544 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 22.6 m-85 -52.02 -46.37 64.96 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.524 1.14 . . . . 0.0 111.016 -179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -63.37 -33.24 75.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.54 1.15 . . . . 0.0 109.261 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.522 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -64.79 -67.43 0.44 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.539 1.15 . . . . 0.0 109.3 -179.976 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.463 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.5 mm? -44.25 -60.81 1.74 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.572 1.17 . . . . 0.0 109.313 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -38.13 -54.42 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.514 1.134 . . . . 0.0 110.047 179.994 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -58.21 -44.44 88.14 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.481 1.113 . . . . 0.0 109.319 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.468 ' HE1' HG22 ' A' ' 76' ' ' ILE . 10.7 mtm -75.78 161.98 28.57 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.472 1.107 . . . . 0.0 111.019 179.969 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.44 155.83 22.78 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.518 1.136 . . . . 0.0 109.596 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.438 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 97.4 -163.47 21.88 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.555 1.159 . . . . 0.0 110.994 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.455 HG22 ' HB3' ' A' ' 30' ' ' ARG . 3.0 m -69.96 97.63 1.17 Allowed 'General case' 0 C--N 1.324 -0.52 0 O-C-N 124.562 0.801 . . . . 0.0 110.394 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.521 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -94.69 135.85 35.69 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.332 179.983 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.884 HG23 HG23 ' A' ' 28' ' ' ILE . 1.2 m -91.27 105.08 17.53 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.107 . . . . 0.0 110.406 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.477 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 70.8 m-85 -93.02 118.84 31.63 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.529 1.143 . . . . 0.0 111.013 179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.69 HG12 ' HB ' ' A' ' 26' ' ' VAL . 3.0 t -107.09 94.57 3.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.524 1.14 . . . . 0.0 109.286 179.993 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.605 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.3 OUTLIER -134.39 157.42 46.44 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.338 179.944 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 9.0 mt -102.16 129.07 27.05 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.354 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.01 118.14 5.16 Favored 'Trans proline' 0 C--N 1.36 1.138 0 O-C-N 124.508 1.794 . . . . 0.0 111.0 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 26.9 t -81.27 81.51 7.42 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.489 1.118 . . . . 0.0 110.012 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -84.22 48.69 1.52 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.468 1.105 . . . . 0.0 109.996 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -119.16 78.2 0.31 Allowed Glycine 0 CA--C 1.531 1.044 0 O-C-N 124.515 1.134 . . . . 0.0 110.984 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.95 117.53 4.95 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.529 1.805 . . . . 0.0 110.971 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -89.91 -53.33 4.54 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.527 1.142 . . . . 0.0 110.048 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 56.2 m -69.45 131.87 45.43 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.481 1.113 . . . . 0.0 109.943 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 111.002 179.956 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.976 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.6 p -92.35 158.56 16.02 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.751 . . . . 0.0 110.004 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 64.9 p -166.45 143.06 4.88 Favored 'General case' 0 C--N 1.324 -0.524 0 O-C-N 124.505 1.128 . . . . 0.0 110.005 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -175.63 150.98 11.29 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.503 1.127 . . . . 0.0 111.003 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 12.1 t -113.71 112.41 23.42 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.472 0.748 . . . . 0.0 109.977 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.7 m 62.91 -88.43 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.51 1.131 . . . . 0.0 109.994 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 130.5 161.8 10.49 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.539 1.149 . . . . 0.0 110.968 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 -165.42 0.28 Allowed 'Trans proline' 0 C--N 1.36 1.144 0 O-C-N 124.572 1.827 . . . . 0.0 110.974 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 23.8 mt -102.73 145.81 11.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.557 1.16 . . . . 0.0 109.255 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 28.6 p -55.33 165.98 0.67 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.466 1.104 . . . . 0.0 110.375 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 2.1 p30 -151.95 122.03 7.14 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.54 1.15 . . . . 0.0 109.295 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.4 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 0.4 OUTLIER -111.33 59.75 0.61 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.538 1.148 . . . . 0.0 110.295 179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.54 ' HA ' ' CZ ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -151.82 24.2 0.67 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.507 1.129 . . . . 0.0 110.324 179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . . 2.8 t -91.33 19.24 0.77 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.489 1.118 . . . . 0.0 109.292 -179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.6 ' CD1' HD11 ' A' ' 18' ' ' ILE . 0.6 OUTLIER -106.41 170.23 8.05 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.517 1.136 . . . . 0.0 110.987 -179.99 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.411 ' O ' HD12 ' A' ' 18' ' ' ILE . 0.3 OUTLIER -115.47 -147.51 0.42 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.451 1.094 . . . . 0.0 110.308 179.981 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.7 p -52.8 112.34 0.82 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 110.004 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.6 HD11 ' CD1' ' A' ' 15' ' ' TYR . 3.1 mt -107.89 142.13 21.37 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.544 1.152 . . . . 0.0 109.328 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -66.65 71.02 0.17 Allowed Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.508 1.13 . . . . 0.0 110.975 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.424 ' N ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER 170.74 61.76 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.498 0.763 . . . . 0.0 109.6 -179.96 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.541 ' CE1' HG21 ' A' ' 26' ' ' VAL . 3.4 m-30 -75.2 56.22 0.79 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.547 1.155 . . . . 0.0 111.019 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 94.28 53.25 1.75 Allowed Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.467 1.104 . . . . 0.0 110.982 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 84.09 -47.85 3.93 Favored Glycine 0 CA--C 1.53 0.994 0 N-CA-C 110.997 -0.841 . . . . 0.0 110.997 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -54.76 -167.82 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.487 0.757 . . . . 0.0 110.311 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -143.39 125.23 15.12 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.494 1.121 . . . . 0.0 110.378 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.541 HG21 ' CE1' ' A' ' 21' ' ' TYR . 6.7 m -112.3 137.84 43.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.489 1.118 . . . . 0.0 109.319 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 3.0 tttt -103.19 111.85 24.42 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.545 1.153 . . . . 0.0 109.296 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.581 HG23 HG23 ' A' ' 101' ' ' THR . 5.1 mp -82.03 130.9 35.01 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 109.325 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.79 121.68 40.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.327 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 39.9 mtm180 -98.1 123.91 42.36 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.27 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.727 HG13 HD12 ' A' ' 66' ' ' LEU . 2.7 mt -114.53 132.77 62.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.511 1.132 . . . . 0.0 109.327 179.968 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -88.17 110.12 20.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.478 1.111 . . . . 0.0 110.274 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.47 ' HB2' HD11 ' A' ' 100' ' ' LEU . 16.8 mtpt -115.02 154.2 29.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.439 1.087 . . . . 0.0 109.281 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.441 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -102.08 172.07 7.13 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.474 1.109 . . . . 0.0 109.346 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.541 ' HA ' ' CG ' ' A' ' 97' ' ' HIS . 26.7 mtm180 -84.75 29.09 0.63 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.539 1.149 . . . . 0.0 110.284 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -173.13 33.86 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.285 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.441 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -122.67 126.92 25.97 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.494 1.122 . . . . 0.0 109.318 179.983 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.98 145.43 31.49 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.529 1.805 . . . . 0.0 111.009 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 25.8 tp -61.56 -56.27 21.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.518 1.136 . . . . 0.0 109.281 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.462 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 72.43 38.39 58.11 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.504 1.128 . . . . 0.0 110.979 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.431 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.28 117.21 8.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.499 0.764 . . . . 0.0 109.334 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -86.94 153.81 21.29 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.495 1.122 . . . . 0.0 110.433 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 2.6 m -140.44 146.2 24.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.487 1.117 . . . . 0.0 109.264 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -103.18 164.86 11.37 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.517 1.136 . . . . 0.0 110.298 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.7 t-20 -97.28 122.86 40.79 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.285 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.598 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.4 mm-40 -107.46 165.35 11.47 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.509 1.131 . . . . 0.0 110.317 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -18.37 -58.05 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.454 1.096 . . . . 0.0 111.047 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.452 ' N ' ' O ' ' A' ' 46' ' ' GLU . 27.4 m-20 -156.81 24.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.493 1.12 . . . . 0.0 109.31 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.401 ' HB3' HD11 ' A' ' 51' ' ' ILE . 12.8 m -134.12 153.44 51.82 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.541 1.151 . . . . 0.0 109.956 -179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.718 ' C ' HD12 ' A' ' 51' ' ' ILE . 98.2 t -103.42 103.3 14.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.524 1.14 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.718 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.4 mp -105.58 156.61 6.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.485 1.116 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.45 HG21 HD11 ' A' ' 55' ' ' ILE . 29.9 mm -69.56 145.51 13.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 109.296 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.15 -46.63 2.7 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.486 1.117 . . . . 0.0 109.993 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.48 ' O ' HD13 ' A' ' 55' ' ' ILE . 6.0 ttt180 -148.2 163.16 37.84 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.509 1.13 . . . . 0.0 110.266 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.48 HD13 ' O ' ' A' ' 54' ' ' ARG . 44.4 mm -126.68 119.31 53.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.462 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 9.6 t -84.06 148.88 4.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.494 1.121 . . . . 0.0 109.271 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 27.6 ttpt -79.64 149.07 31.4 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.543 1.152 . . . . 0.0 109.275 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 79.86 -5.47 61.8 Favored Glycine 0 CA--C 1.53 1.011 0 O-C-N 124.5 1.125 . . . . 0.0 111.003 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -75.54 150.32 39.84 Favored Glycine 0 CA--C 1.53 0.997 0 N-CA-C 110.992 -0.843 . . . . 0.0 110.992 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -60.74 -22.52 64.1 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.529 0.782 . . . . 0.0 109.346 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.749 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -73.97 -60.63 2.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.487 1.117 . . . . 0.0 109.296 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 9.3 tt0 -48.71 -61.29 2.11 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.515 1.135 . . . . 0.0 110.332 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 0.1 OUTLIER -39.16 -69.52 0.12 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.515 1.134 . . . . 0.0 109.332 179.969 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -52.02 -49.23 63.8 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.492 1.12 . . . . 0.0 110.014 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 85.96 14.44 67.16 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.517 1.136 . . . . 0.0 111.035 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.727 HD12 HG13 ' A' ' 31' ' ' ILE . 8.0 mt -80.37 -22.93 40.85 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 0.743 . . . . 0.0 109.27 -179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.749 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 2.6 mm? -103.27 121.48 42.79 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.46 1.1 . . . . 0.0 109.314 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 4.6 m-70 -133.66 153.67 51.51 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.533 1.146 . . . . 0.0 109.581 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 42.5 mt-10 -63.84 115.72 5.09 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.314 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 119.78 -6.65 12.34 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.485 1.116 . . . . 0.0 110.979 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -79.25 135.04 36.65 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.468 0.746 . . . . 0.0 109.259 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 31.6 tt0 -101.53 128.46 47.76 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 110.294 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.487 HG12 HG13 ' A' ' 81' ' ' ILE . 12.2 t -94.87 140.01 17.57 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.453 0 O-C-N 124.478 1.111 . . . . 0.0 109.305 179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.448 ' O ' ' N ' ' A' ' 81' ' ' ILE . 6.9 mt -129.42 -54.48 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.465 1.103 . . . . 0.0 109.277 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -135.83 143.26 45.03 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.538 1.149 . . . . 0.0 110.335 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . . . . . . . . . 44.1 mt -136.05 106.7 5.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.297 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 65.75 14.57 9.61 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.491 1.119 . . . . 0.0 109.261 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.44 -27.91 10.14 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.491 1.12 . . . . 0.0 111.002 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.913 HG21 HD22 ' A' ' 92' ' ' LEU . 3.3 mp -71.58 130.93 35.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.513 0.772 . . . . 0.0 109.278 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.451 ' O ' ' CE ' ' A' ' 84' ' ' LYS . 1.3 mt-10 -69.15 155.71 39.93 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.508 1.13 . . . . 0.0 110.316 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.522 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.4 mm -128.39 -49.31 1.22 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 O-C-N 124.545 1.153 . . . . 0.0 109.317 -179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.7 ttt180 -39.7 126.18 1.9 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.482 1.114 . . . . 0.0 110.306 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 92.54 -48.83 2.6 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.468 1.105 . . . . 0.0 110.994 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.451 ' CE ' ' O ' ' A' ' 80' ' ' GLU . 40.6 mttm -40.99 160.43 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.502 0.766 . . . . 0.0 109.29 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.4 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 17.1 t0 -90.74 159.48 16.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.518 1.136 . . . . 0.0 109.288 179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.465 HG23 ' N ' ' A' ' 87' ' ' ASN . 31.2 m -55.74 -49.07 76.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.461 1.101 . . . . 0.0 109.303 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.465 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -59.43 -46.44 88.74 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.292 -179.986 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.602 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.2 OUTLIER -52.55 -50.82 62.16 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.507 1.129 . . . . 0.0 110.343 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.522 ' CG2' HG23 ' A' ' 81' ' ' ILE . 9.1 t -59.45 -56.75 15.12 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.513 1.133 . . . . 0.0 109.294 179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 19.2 m-85 -50.47 -40.38 50.77 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.546 1.154 . . . . 0.0 110.975 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -33.62 75.75 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.132 . . . . 0.0 109.343 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.913 HD22 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -66.34 -66.79 0.51 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.484 1.115 . . . . 0.0 109.338 179.956 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.481 ' O ' ' N ' ' A' ' 96' ' ' MET . 2.5 mm? -43.14 -60.17 1.76 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.45 1.094 . . . . 0.0 109.319 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.615 ' O ' ' CE1' ' A' ' 97' ' ' HIS . 0.3 OUTLIER -43.28 -52.32 5.8 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.51 1.132 . . . . 0.0 110.0 -179.992 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -59.07 -32.82 70.13 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.561 1.163 . . . . 0.0 109.271 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.552 ' O ' ' CG ' ' A' ' 97' ' ' HIS . 12.2 mtm -89.49 162.4 15.73 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.509 1.13 . . . . 0.0 110.987 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.615 ' CE1' ' O ' ' A' ' 94' ' ' SER . 90.4 m-70 -159.89 164.13 33.75 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.143 . . . . 0.0 109.593 179.99 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 87.69 -163.31 33.6 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 35.4 m -71.81 98.93 2.07 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.464 0.744 . . . . 0.0 110.402 179.975 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.47 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -98.39 137.94 36.36 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.154 . . . . 0.0 109.343 179.991 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.581 HG23 HG23 ' A' ' 28' ' ' ILE . 5.4 m -90.34 107.87 19.42 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.498 1.124 . . . . 0.0 110.408 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.404 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 41.7 m-85 -93.57 116.57 29.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.479 1.112 . . . . 0.0 111.013 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 38.2 t -101.1 94.32 3.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.49 1.119 . . . . 0.0 109.266 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.94 161.73 35.23 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 109.352 179.965 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 13.4 mt -107.6 122.57 40.67 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.12 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.89 115.74 4.38 Favored 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.496 1.787 . . . . 0.0 111.036 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.413 ' C ' ' N ' ' A' ' 109' ' ' GLY . 3.4 t -73.32 59.46 0.57 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 64.1 m 40.85 30.59 0.1 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.458 1.098 . . . . 0.0 109.962 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.413 ' N ' ' C ' ' A' ' 107' ' ' SER . . . 70.53 158.52 2.53 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.506 1.128 . . . . 0.0 110.995 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.98 83.33 1.83 Allowed 'Trans proline' 0 C--N 1.359 1.112 0 O-C-N 124.521 1.801 . . . . 0.0 110.975 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 3.6 m -92.79 150.4 20.66 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 109.98 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -107.2 113.44 26.87 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.561 1.163 . . . . 0.0 110.011 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.515 1.134 . . . . 0.0 110.976 -179.953 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.05 0 N-CA-C 111.039 -0.825 . . . . 0.0 111.039 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER 65.41 168.8 0.2 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.534 0.785 . . . . 0.0 109.991 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.9 p -120.2 131.66 55.06 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.476 1.11 . . . . 0.0 109.967 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -62.62 167.56 19.55 Favored Glycine 0 CA--C 1.531 1.043 0 O-C-N 124.474 1.109 . . . . 0.0 111.037 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -150.88 93.22 1.91 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 0.768 . . . . 0.0 110.02 -179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.6 m -63.52 147.58 50.99 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.003 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.6 -124.3 0.72 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.511 1.132 . . . . 0.0 111.039 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.0 82.44 2.01 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.498 1.788 . . . . 0.0 111.01 179.964 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.413 ' O ' ' O ' ' A' ' 10' ' ' THR . 66.1 mt -96.55 139.07 20.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.527 1.142 . . . . 0.0 109.288 -179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.413 ' O ' ' O ' ' A' ' 9' ' ' ILE . 44.1 p 40.67 -162.7 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.494 1.121 . . . . 0.0 110.396 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 4.0 m-20 -146.63 111.11 5.17 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.514 1.134 . . . . 0.0 109.293 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 1.007 ' O ' HG23 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -116.84 -138.15 0.36 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.136 . . . . 0.0 110.325 179.979 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' C ' ' O ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 32.45 54.2 0.34 Allowed 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 110.331 179.969 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 1.007 HG23 ' O ' ' A' ' 12' ' ' GLU . 54.6 t -137.88 21.13 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.519 1.137 . . . . 0.0 109.263 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.442 ' CD1' ' N ' ' A' ' 15' ' ' TYR . 3.0 m-85 -108.63 168.4 9.36 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.438 1.086 . . . . 0.0 111.031 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -81.24 -146.06 0.06 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.482 1.114 . . . . 0.0 110.301 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 73.2 p -53.36 126.44 21.26 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 110.009 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.49 HG22 ' N ' ' A' ' 19' ' ' GLY . 50.0 mm -80.55 -100.66 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.523 1.14 . . . . 0.0 109.314 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.49 ' N ' HG22 ' A' ' 18' ' ' ILE . . . 168.83 -53.94 0.21 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.502 1.126 . . . . 0.0 111.009 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.4 ' O ' ' C ' ' A' ' 21' ' ' TYR . 8.2 p80 -78.74 -30.3 45.75 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.46 0.741 . . . . 0.0 109.61 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.4 ' C ' ' O ' ' A' ' 20' ' ' HIS . 22.6 m-85 36.68 85.21 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.495 1.122 . . . . 0.0 111.003 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.8 -153.46 6.74 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.477 1.11 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -85.81 44.03 3.31 Favored Glycine 0 CA--C 1.53 1.014 0 N-CA-C 110.957 -0.857 . . . . 0.0 110.957 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -129.21 177.01 7.47 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.478 0.752 . . . . 0.0 110.264 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -132.88 124.67 28.33 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.493 1.121 . . . . 0.0 110.404 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.752 HG12 HG12 ' A' ' 105' ' ' ILE . 4.1 m -117.87 144.71 25.14 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 9.0 tttm -104.82 116.94 32.86 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.505 1.128 . . . . 0.0 109.317 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.539 ' CG2' HG23 ' A' ' 101' ' ' THR . 5.3 mp -87.27 132.44 32.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.538 1.148 . . . . 0.0 109.335 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -134.75 118.5 25.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.117 . . . . 0.0 109.269 -179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.408 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 12.1 mtt180 -97.63 125.98 42.69 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.52 1.138 . . . . 0.0 110.309 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.964 HD11 ' HB2' ' A' ' 66' ' ' LEU . 95.1 mt -120.87 142.36 37.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.304 -179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 9.4 mt-10 -91.83 109.43 20.75 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.506 1.129 . . . . 0.0 110.289 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.455 ' HB2' ' CD1' ' A' ' 100' ' ' LEU . 0.0 OUTLIER -110.76 129.27 55.89 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.47 1.106 . . . . 0.0 109.325 -179.995 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.61 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -75.12 169.77 17.36 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.521 1.138 . . . . 0.0 109.325 179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.5 mtm-85 -77.8 1.44 20.24 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.557 1.161 . . . . 0.0 110.342 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -149.99 37.04 0.7 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.545 1.153 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.61 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -119.2 127.46 26.48 Favored Pre-proline 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 109.264 -179.967 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.08 153.11 41.14 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.499 1.789 . . . . 0.0 110.992 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 28.9 tp -67.81 -57.78 5.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.538 1.149 . . . . 0.0 109.321 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 74.5 38.06 45.28 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.494 1.121 . . . . 0.0 111.008 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.426 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -144.37 120.25 10.62 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.493 0.76 . . . . 0.0 109.296 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.6 m -86.81 153.87 21.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 110.401 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.661 HG23 HG12 ' A' ' 86' ' ' VAL . 3.3 m -144.8 143.82 22.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.7 162.62 12.77 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.529 1.143 . . . . 0.0 110.324 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -96.37 99.16 10.86 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.565 1.166 . . . . 0.0 109.265 -179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.581 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.8 mm-40 -80.9 165.05 22.15 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 1.122 . . . . 0.0 110.297 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.581 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.9 mmm -19.79 -59.39 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.476 1.11 . . . . 0.0 110.978 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 24.7 m-20 -155.23 24.1 0.42 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.499 1.124 . . . . 0.0 109.333 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.429 ' HB3' HD11 ' A' ' 51' ' ' ILE . 19.1 m -133.13 153.37 51.58 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.556 1.16 . . . . 0.0 109.968 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.753 ' C ' HD12 ' A' ' 51' ' ' ILE . 90.4 t -101.49 102.62 13.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.483 1.115 . . . . 0.0 109.286 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.753 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.4 mp -107.5 153.78 8.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.499 1.124 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.514 HG21 HD11 ' A' ' 55' ' ' ILE . 27.3 mm -68.12 144.48 14.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.48 1.112 . . . . 0.0 109.261 179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.25 -44.78 3.09 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.447 1.092 . . . . 0.0 109.972 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.497 ' O ' HD13 ' A' ' 55' ' ' ILE . 1.0 OUTLIER -154.37 159.16 41.0 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.453 1.095 . . . . 0.0 110.281 -179.986 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.514 HD11 HG21 ' A' ' 52' ' ' ILE . 32.2 mm -120.65 121.6 65.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.569 1.168 . . . . 0.0 109.306 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 11.2 t -86.56 146.07 6.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.5 1.125 . . . . 0.0 109.262 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.4 tppt? -76.84 147.89 36.87 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.38 -2.87 64.89 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.547 1.155 . . . . 0.0 111.046 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.21 148.47 31.31 Favored Glycine 0 CA--C 1.531 1.047 0 N-CA-C 110.956 -0.857 . . . . 0.0 110.956 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -55.84 -29.37 59.72 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.531 0.783 . . . . 0.0 109.33 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.447 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -69.11 -56.02 8.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 13.7 tt0 -61.67 -51.39 68.62 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.551 1.157 . . . . 0.0 110.298 179.991 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 5.8 mmtm -40.1 -67.3 0.24 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.48 1.112 . . . . 0.0 109.336 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 77.5 p -64.98 -36.34 84.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.518 1.136 . . . . 0.0 109.98 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.414 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 72.38 40.21 55.43 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.573 1.171 . . . . 0.0 111.009 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.964 ' HB2' HD11 ' A' ' 31' ' ' ILE . 7.0 mt -97.7 -16.8 19.77 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.509 0.77 . . . . 0.0 109.307 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.489 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.3 mm? -103.89 131.66 50.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.482 1.114 . . . . 0.0 109.284 179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.0 m80 -133.69 137.56 45.36 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.122 . . . . 0.0 109.588 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 65.2 mt-10 -52.46 114.48 1.38 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.441 1.088 . . . . 0.0 110.31 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 118.02 -3.15 16.8 Favored Glycine 0 CA--C 1.53 1.009 0 O-C-N 124.517 1.136 . . . . 0.0 110.963 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.409 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 14.1 m-20 -80.89 130.76 35.2 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.472 0.748 . . . . 0.0 109.282 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.505 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 24.7 tt0 -96.3 131.8 42.43 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.474 1.109 . . . . 0.0 110.269 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.455 HG11 HD11 ' A' ' 76' ' ' ILE . 4.6 t -99.6 133.72 41.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.116 . . . . 0.0 109.371 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.476 HD22 ' NH1' ' A' ' 82' ' ' ARG . 23.1 mt -119.98 -52.15 2.21 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.119 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -136.37 151.45 49.57 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 110.274 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.87 HG21 HD21 ' A' ' 93' ' ' LEU . 46.9 mt -139.74 103.2 1.69 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.509 1.13 . . . . 0.0 109.309 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 68.01 13.73 9.19 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.537 1.148 . . . . 0.0 109.324 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.85 -27.45 9.18 Favored Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.558 1.161 . . . . 0.0 111.003 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.893 HG21 HD22 ' A' ' 92' ' ' LEU . 2.7 mp -70.74 133.62 31.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.513 0.773 . . . . 0.0 109.269 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.8 mt-10 -69.57 157.62 36.85 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.509 1.131 . . . . 0.0 110.29 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.594 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.5 mm -134.15 -46.56 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.496 1.123 . . . . 0.0 109.277 -179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.476 ' NH1' HD22 ' A' ' 74' ' ' LEU . 2.3 ttt85 -39.87 120.71 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.53 1.144 . . . . 0.0 110.319 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 94.31 -41.22 2.61 Favored Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.48 1.112 . . . . 0.0 110.971 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.415 ' N ' ' O ' ' A' ' 81' ' ' ILE . 24.8 mttm -45.46 154.48 0.19 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.51 0.771 . . . . 0.0 109.321 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.4 t70 -88.69 160.06 17.53 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.492 1.12 . . . . 0.0 109.343 180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.661 HG12 HG23 ' A' ' 43' ' ' VAL . 29.7 m -53.03 -50.58 44.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.539 1.15 . . . . 0.0 109.304 179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.463 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.5 OUTLIER -56.12 -47.72 77.57 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.577 1.173 . . . . 0.0 109.333 -179.991 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.665 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.4 OUTLIER -54.28 -50.42 67.31 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.495 1.122 . . . . 0.0 110.293 -179.999 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.594 ' CG2' HG23 ' A' ' 81' ' ' ILE . 5.1 t -59.64 -55.89 20.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.523 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 19.8 m-85 -51.38 -54.01 30.77 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.445 1.09 . . . . 0.0 111.038 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -55.68 -47.74 76.23 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.478 1.111 . . . . 0.0 109.285 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.893 HD22 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -45.58 -71.69 0.07 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.492 1.12 . . . . 0.0 109.3 179.99 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.87 HD21 HG21 ' A' ' 76' ' ' ILE . 92.3 mt -47.66 -51.52 21.32 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.117 . . . . 0.0 109.314 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.95 -58.27 1.13 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.518 1.136 . . . . 0.0 110.014 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -59.52 -39.5 84.08 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.564 1.165 . . . . 0.0 109.289 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.447 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.3 mtm -75.46 161.33 29.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.544 1.153 . . . . 0.0 111.058 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -161.8 151.33 16.31 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.522 1.139 . . . . 0.0 109.606 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 100.73 -168.86 20.77 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.489 1.118 . . . . 0.0 111.027 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 25.7 m -65.71 97.63 0.34 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.487 0.757 . . . . 0.0 110.418 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.455 ' CD1' ' HB2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -95.48 138.73 32.76 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.5 1.125 . . . . 0.0 109.278 -179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.539 HG23 ' CG2' ' A' ' 28' ' ' ILE . 23.2 m -93.82 106.76 18.71 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 110.385 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -92.6 117.13 29.64 Favored 'General case' 0 C--N 1.326 -0.434 0 O-C-N 124.49 1.119 . . . . 0.0 111.024 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 6.7 t -102.31 94.45 3.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.489 1.118 . . . . 0.0 109.316 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.505 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -134.49 161.07 36.09 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.507 1.13 . . . . 0.0 109.267 -179.975 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.752 HG12 HG12 ' A' ' 26' ' ' VAL . 9.8 mt -106.87 122.95 40.04 Favored Pre-proline 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.303 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 117.65 4.99 Favored 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.521 1.801 . . . . 0.0 111.035 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.405 ' O ' ' C ' ' A' ' 108' ' ' SER . 3.9 t -74.93 60.67 0.99 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.512 1.132 . . . . 0.0 109.958 -179.965 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 107' ' ' SER . 45.0 m 39.29 32.58 0.08 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.472 1.107 . . . . 0.0 110.003 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.4 ' N ' ' C ' ' A' ' 107' ' ' SER . . . 42.93 -119.7 2.33 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.125 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.01 85.59 1.51 Allowed 'Trans proline' 0 C--N 1.361 1.198 0 O-C-N 124.519 1.799 . . . . 0.0 110.977 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 82.9 p -41.54 -45.4 3.26 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.488 1.117 . . . . 0.0 110.028 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -103.56 122.61 45.32 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.506 1.129 . . . . 0.0 110.004 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.931 0 O-C-N 124.5 1.125 . . . . 0.0 111.041 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.992 0 N-CA-C 111.022 -0.831 . . . . 0.0 111.022 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 50.8 m -130.56 126.87 37.84 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.527 0.781 . . . . 0.0 110.04 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -159.61 113.39 2.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.514 1.134 . . . . 0.0 110.039 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -145.49 -179.79 22.01 Favored Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.494 1.121 . . . . 0.0 110.985 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.9 m -94.43 -62.05 1.4 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 0.766 . . . . 0.0 109.959 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.4 t 55.6 102.04 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.489 1.118 . . . . 0.0 110.006 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 170.15 155.37 10.15 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.498 1.124 . . . . 0.0 110.99 -179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 74.9 3.87 Favored 'Trans proline' 0 C--N 1.36 1.17 0 O-C-N 124.473 1.775 . . . . 0.0 111.002 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 71.0 mt -109.86 144.6 17.74 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 3.5 p -55.4 121.38 8.82 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.497 1.123 . . . . 0.0 110.429 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -102.24 104.29 14.83 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.504 1.128 . . . . 0.0 109.306 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -105.27 67.89 0.79 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.481 1.113 . . . . 0.0 110.282 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -146.39 16.73 1.32 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.478 1.111 . . . . 0.0 110.277 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.498 HG12 ' O ' ' A' ' 14' ' ' VAL . 21.9 t -96.42 17.43 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.311 179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.413 ' CB ' HD11 ' A' ' 18' ' ' ILE . 28.5 m-85 -41.53 140.19 0.97 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.492 1.12 . . . . 0.0 110.978 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.465 ' CG ' ' N ' ' A' ' 17' ' ' SER . 0.1 OUTLIER -79.29 -145.41 0.04 OUTLIER 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.564 1.165 . . . . 0.0 110.314 179.986 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.465 ' N ' ' CG ' ' A' ' 16' ' ' GLU . 1.3 p -54.27 107.46 0.28 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.516 1.135 . . . . 0.0 109.978 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.413 HD11 ' CB ' ' A' ' 15' ' ' TYR . 3.0 mt -92.19 154.2 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.461 1.1 . . . . 0.0 109.28 179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -77.23 -59.08 3.2 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.539 1.149 . . . . 0.0 110.97 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 23.7 t-80 -100.31 77.57 1.97 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.53 0.782 . . . . 0.0 109.615 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.752 ' CD1' HG21 ' A' ' 26' ' ' VAL . 2.4 m-85 -49.86 179.83 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.537 1.148 . . . . 0.0 111.025 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . -41.72 94.96 0.01 OUTLIER Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.536 1.147 . . . . 0.0 110.992 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.436 ' N ' ' O ' ' A' ' 21' ' ' TYR . . . 39.15 69.34 0.41 Allowed Glycine 0 CA--C 1.529 0.964 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -175.12 -172.48 0.6 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.446 0.733 . . . . 0.0 110.312 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -133.82 122.89 23.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.51 1.132 . . . . 0.0 110.414 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.752 HG21 ' CD1' ' A' ' 21' ' ' TYR . 2.4 m -110.24 133.38 55.8 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.469 1.106 . . . . 0.0 109.309 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 8.3 tttm -97.12 117.7 31.91 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.534 1.147 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.498 HD12 ' N ' ' A' ' 28' ' ' ILE . 5.1 mp -91.84 147.66 5.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.521 1.138 . . . . 0.0 109.277 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.541 ' HB ' HD13 ' A' ' 66' ' ' LEU . 0.0 OUTLIER -152.16 118.58 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 109.293 180.0 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 33.4 mtm180 -88.9 113.55 24.56 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 110.301 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.737 HG12 HD12 ' A' ' 66' ' ' LEU . 67.6 mt -104.79 138.02 31.42 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.475 1.11 . . . . 0.0 109.312 179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 6.8 mt-10 -97.36 119.98 36.89 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.494 1.121 . . . . 0.0 110.29 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.484 ' CG ' ' CB ' ' A' ' 60' ' ' ALA . 7.6 mtpm? -127.33 136.61 52.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.552 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -74.93 171.92 13.2 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.522 1.139 . . . . 0.0 109.3 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.532 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 1.0 OUTLIER -80.49 38.93 0.45 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 110.283 -179.995 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.404 ' H ' ' C ' ' A' ' 34' ' ' ALA . 0.8 OUTLIER 170.73 40.0 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.487 1.117 . . . . 0.0 109.332 179.99 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.552 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -121.88 126.56 26.32 Favored Pre-proline 0 C--N 1.326 -0.443 0 O-C-N 124.449 1.093 . . . . 0.0 109.325 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 148.03 34.8 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.517 1.798 . . . . 0.0 111.02 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 1.042 HD23 HD13 ' A' ' 93' ' ' LEU . 0.2 OUTLIER -60.74 -52.08 66.61 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.52 1.138 . . . . 0.0 109.289 179.997 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 73.1 35.98 57.0 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.128 . . . . 0.0 111.02 -179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.749 ' HB3' HD12 ' A' ' 39' ' ' LEU . . . -145.19 118.12 8.77 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.498 0.763 . . . . 0.0 109.292 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.7 m -86.21 152.16 23.03 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.519 1.137 . . . . 0.0 110.365 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.805 HG12 HD13 ' A' ' 52' ' ' ILE . 1.7 m -141.13 156.4 21.93 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.488 1.118 . . . . 0.0 109.273 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.468 ' CG ' ' HB2' ' A' ' 53' ' ' SER . 55.0 mtp180 -100.89 156.27 17.47 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.547 1.154 . . . . 0.0 110.349 179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -95.93 97.76 9.88 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.456 1.097 . . . . 0.0 109.313 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.543 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -82.79 164.71 20.42 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.538 1.149 . . . . 0.0 110.296 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.543 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 mmt -24.18 -58.76 0.05 OUTLIER 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -151.18 23.79 0.73 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.479 1.112 . . . . 0.0 109.277 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.3 m -132.68 153.59 50.97 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 110.026 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.506 ' O ' HG23 ' A' ' 73' ' ' VAL . 55.5 t -108.25 100.85 11.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.49 1.119 . . . . 0.0 109.281 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.592 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.2 mp -104.01 145.25 13.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.501 1.126 . . . . 0.0 109.277 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.805 HD13 HG12 ' A' ' 43' ' ' VAL . 5.3 mm -64.46 162.24 2.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.541 1.151 . . . . 0.0 109.303 179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.468 ' HB2' ' CG ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -140.31 -54.23 0.52 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.13 . . . . 0.0 110.023 179.974 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . . . . . . . . . 2.9 ttt85 -131.8 146.7 52.29 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.512 1.133 . . . . 0.0 110.304 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.449 HD13 ' HA ' ' A' ' 55' ' ' ILE . 29.9 mm -116.49 106.02 19.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.491 1.119 . . . . 0.0 109.318 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 10.5 t -76.4 146.32 9.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.508 1.13 . . . . 0.0 109.311 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 17.6 ttpp -82.15 156.51 24.44 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.506 1.129 . . . . 0.0 109.307 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.405 ' HA2' ' NZ ' ' A' ' 63' ' ' LYS . . . 77.82 -2.4 64.33 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.66 156.05 34.42 Favored Glycine 0 CA--C 1.53 0.977 0 N-CA-C 110.974 -0.851 . . . . 0.0 110.974 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.484 ' CB ' ' CG ' ' A' ' 33' ' ' LYS . . . -66.07 -22.34 66.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.519 0.776 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.912 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . . . -74.92 -53.18 9.48 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.323 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.452 ' O ' ' N ' ' A' ' 65' ' ' GLY . 3.9 tt0 -55.85 -66.14 0.48 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.481 1.113 . . . . 0.0 110.298 179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 62' ' ' GLU . 5.1 mttp -39.97 -60.57 1.0 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.505 1.128 . . . . 0.0 109.286 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 91.6 p -55.16 -37.06 66.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.496 1.122 . . . . 0.0 110.019 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.452 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 62.53 44.21 97.9 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.534 1.146 . . . . 0.0 110.984 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.737 HD12 HG12 ' A' ' 31' ' ' ILE . 19.6 mt -110.34 -12.02 14.47 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.473 0.749 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.722 HD21 ' CD1' ' A' ' 31' ' ' ILE . 2.6 mm? -106.69 131.02 54.3 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.519 1.137 . . . . 0.0 109.325 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 2.4 m80 -133.47 132.72 41.37 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.504 1.127 . . . . 0.0 109.565 -179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 80.6 mt-10 -47.48 114.74 0.94 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.536 1.147 . . . . 0.0 110.266 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.65 5.04 18.96 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.473 1.108 . . . . 0.0 111.005 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.47 ' OD1' HD13 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -88.65 124.71 34.34 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.477 0.751 . . . . 0.0 109.338 179.985 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.487 ' OE2' HD21 ' A' ' 74' ' ' LEU . 25.3 tt0 -89.59 129.15 36.09 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.457 1.098 . . . . 0.0 110.32 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.681 HG12 HG13 ' A' ' 81' ' ' ILE . 18.3 t -87.28 134.59 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.477 1.111 . . . . 0.0 109.358 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.754 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -126.67 -54.05 1.44 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.544 1.152 . . . . 0.0 109.24 -179.947 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -133.0 142.44 48.84 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.444 1.09 . . . . 0.0 110.26 -179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.51 HG21 HD21 ' A' ' 93' ' ' LEU . 25.6 mt -135.92 102.84 3.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.531 1.144 . . . . 0.0 109.262 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.536 HD22 HD23 ' A' ' 100' ' ' LEU . 1.3 t-20 69.95 19.08 7.07 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.526 1.141 . . . . 0.0 109.291 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 106.22 -23.67 28.23 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.539 1.149 . . . . 0.0 111.0 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.1 mp -79.53 130.27 36.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.469 0.747 . . . . 0.0 109.32 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.45 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 2.4 tt0 -71.39 161.4 31.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.51 1.131 . . . . 0.0 110.311 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.681 HG13 HG12 ' A' ' 73' ' ' VAL . 2.5 mm -126.59 -43.67 1.12 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 109.293 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.754 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.1 OUTLIER -40.7 118.48 0.97 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.47 1.106 . . . . 0.0 110.298 -179.963 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.33 -17.47 51.06 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.473 1.108 . . . . 0.0 111.014 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.45 ' NZ ' ' O ' ' A' ' 80' ' ' GLU . 21.3 mttp -74.61 165.39 25.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 0.769 . . . . 0.0 109.309 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.0 OUTLIER -97.77 138.26 35.41 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.28 -179.961 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.775 HG23 HG23 ' A' ' 43' ' ' VAL . 1.5 p -40.31 -49.41 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.478 1.111 . . . . 0.0 109.271 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.48 ' N ' ' CG1' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -60.07 -45.94 91.21 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.541 1.15 . . . . 0.0 109.337 179.98 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.449 ' N ' ' O ' ' A' ' 85' ' ' ASP . 0.8 OUTLIER -52.45 -49.34 64.8 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.501 1.125 . . . . 0.0 110.3 179.996 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.437 HG21 HG21 ' A' ' 50' ' ' VAL . 37.0 t -56.76 -48.34 81.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.728 ' CZ ' HG22 ' A' ' 86' ' ' VAL . 23.3 m-30 -57.25 -32.3 66.43 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.495 1.122 . . . . 0.0 111.001 -179.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -82.06 -37.35 26.56 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.526 1.141 . . . . 0.0 109.304 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.411 ' O ' ' N ' ' A' ' 95' ' ' ASP . 0.2 OUTLIER -54.81 -64.28 0.88 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.452 1.095 . . . . 0.0 109.273 -179.991 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 1.042 HD13 HD23 ' A' ' 39' ' ' LEU . 87.2 mt -49.77 -46.54 50.76 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 -179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -56.28 -17.97 9.2 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.544 1.153 . . . . 0.0 110.008 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.411 ' N ' ' O ' ' A' ' 92' ' ' LEU . 1.8 m-20 -105.8 13.66 29.28 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.303 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.47 ' HB3' ' CD2' ' A' ' 100' ' ' LEU . 24.2 mtm -135.1 148.44 49.82 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.465 1.103 . . . . 0.0 111.004 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.532 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 2.0 m-70 -150.31 155.1 39.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 109.595 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 99.24 -170.12 23.26 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.474 1.109 . . . . 0.0 111.044 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 7.5 m -68.07 102.4 1.31 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.528 0.781 . . . . 0.0 110.441 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.536 HD23 HD22 ' A' ' 77' ' ' ASN . 0.3 OUTLIER -100.69 141.34 33.7 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.44 1.088 . . . . 0.0 109.287 -179.966 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.423 HG23 ' CG2' ' A' ' 28' ' ' ILE . 40.1 m -93.1 101.09 13.4 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.552 1.158 . . . . 0.0 110.374 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 45.6 m-85 -85.0 116.85 23.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.469 1.105 . . . . 0.0 110.96 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 94.8 t -107.54 94.92 3.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD21 ' CD1' ' A' ' 67' ' ' LEU . 0.4 OUTLIER -136.74 156.54 48.38 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.542 1.151 . . . . 0.0 109.328 179.951 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.538 ' CD1' HD11 ' A' ' 74' ' ' LEU . 5.7 mt -104.37 127.44 29.08 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.47 1.106 . . . . 0.0 109.291 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 117.99 5.1 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.505 1.792 . . . . 0.0 111.017 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 4.0 t -77.07 57.02 1.32 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.53 1.144 . . . . 0.0 109.933 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 72.4 m 41.5 33.37 0.29 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.512 1.133 . . . . 0.0 109.984 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -57.02 -85.65 0.03 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.524 1.14 . . . . 0.0 110.984 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 118.71 5.37 Favored 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.459 1.768 . . . . 0.0 111.005 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 57.1 p -132.28 131.91 42.5 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.466 1.104 . . . . 0.0 109.949 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.8 m -86.93 124.14 32.81 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.541 1.151 . . . . 0.0 110.041 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 O-C-N 124.472 1.107 . . . . 0.0 111.008 -179.992 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.963 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -87.55 98.37 11.36 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.467 0.745 . . . . 0.0 110.042 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 94.8 p -170.25 101.09 0.27 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 109.968 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -119.73 -154.12 9.41 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.473 1.108 . . . . 0.0 111.033 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -75.02 167.54 21.72 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.954 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 56.6 p -74.81 129.79 38.31 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.521 1.138 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.26 157.35 28.46 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.478 1.111 . . . . 0.0 111.013 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 -168.63 0.53 Allowed 'Trans proline' 0 C--N 1.36 1.133 0 O-C-N 124.522 1.801 . . . . 0.0 110.998 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 9' ' ' ILE . 31.0 mm -102.54 156.05 4.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.461 1.101 . . . . 0.0 109.272 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 67.1 m -76.59 159.0 30.68 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.411 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -62.31 97.58 0.09 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.488 1.117 . . . . 0.0 109.28 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -85.95 10.34 14.33 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.515 1.134 . . . . 0.0 110.277 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.414 ' C ' ' CG2' ' A' ' 14' ' ' VAL . 17.1 mtt180 -104.04 74.64 1.22 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.504 1.127 . . . . 0.0 110.283 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.414 ' CG2' ' C ' ' A' ' 13' ' ' ARG . 2.7 t -150.45 20.63 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.533 1.145 . . . . 0.0 109.309 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.953 ' CD1' HD11 ' A' ' 18' ' ' ILE . 24.1 p90 -91.07 156.47 17.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.492 1.12 . . . . 0.0 110.998 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 20.5 mt-10 -93.81 -147.35 0.25 Allowed 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.518 1.136 . . . . 0.0 110.294 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -55.41 97.14 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.543 1.152 . . . . 0.0 109.983 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.953 HD11 ' CD1' ' A' ' 15' ' ' TYR . 39.4 mm -65.4 -28.9 45.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.531 1.144 . . . . 0.0 109.307 -179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 97.81 -69.07 0.72 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.491 1.119 . . . . 0.0 110.965 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -55.05 -30.33 59.36 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.463 0.743 . . . . 0.0 109.558 -179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.9 m-30 44.81 -170.15 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.417 1.073 . . . . 0.0 110.941 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.442 ' O ' ' N ' ' A' ' 24' ' ' GLU . . . -58.27 -162.49 0.06 OUTLIER Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.489 1.118 . . . . 0.0 111.015 179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -67.35 64.2 0.25 Allowed Glycine 0 CA--C 1.53 0.999 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.442 ' N ' ' O ' ' A' ' 22' ' ' GLY . 0.4 OUTLIER -160.58 173.62 15.24 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.493 0.76 . . . . 0.0 110.325 -179.971 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -125.78 122.49 36.34 Favored 'General case' 0 C--N 1.324 -0.523 0 O-C-N 124.522 1.139 . . . . 0.0 110.403 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.729 HG12 ' CG1' ' A' ' 105' ' ' ILE . 11.0 m -116.87 154.17 18.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.509 1.131 . . . . 0.0 109.281 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.1 tttt -112.14 113.4 25.64 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.52 1.138 . . . . 0.0 109.324 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.479 HG13 HG13 ' A' ' 103' ' ' VAL . 4.9 mp -80.11 129.44 37.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.459 1.099 . . . . 0.0 109.253 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.461 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -132.41 117.86 33.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.538 1.149 . . . . 0.0 109.308 179.957 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 93.5 mtt180 -92.98 111.52 23.18 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.464 1.102 . . . . 0.0 110.336 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.62 HD12 HD11 ' A' ' 67' ' ' LEU . 75.6 mt -104.77 136.93 36.26 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.515 0 O-C-N 124.515 1.134 . . . . 0.0 109.319 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.9 mt-10 -88.79 119.71 29.53 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.527 1.142 . . . . 0.0 110.268 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.501 ' HB3' HD11 ' A' ' 100' ' ' LEU . 2.5 tttt -125.51 146.02 49.84 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.504 1.127 . . . . 0.0 109.273 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.792 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -93.64 169.66 10.16 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.489 1.118 . . . . 0.0 109.302 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 1.3 mtm105 -80.67 5.02 16.81 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.481 1.113 . . . . 0.0 110.327 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -147.03 19.39 1.25 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.437 1.085 . . . . 0.0 109.267 -179.973 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.792 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.3 OUTLIER -112.03 125.12 30.78 Favored Pre-proline 0 C--N 1.325 -0.473 0 O-C-N 124.458 1.099 . . . . 0.0 109.332 179.975 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 149.03 35.88 Favored 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.466 1.771 . . . . 0.0 110.959 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 12.9 tp -58.56 -58.42 8.63 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.536 1.148 . . . . 0.0 109.282 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 78.57 38.49 24.37 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.488 1.117 . . . . 0.0 110.997 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.438 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.19 119.29 9.43 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.476 0.751 . . . . 0.0 109.31 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.7 m -88.81 153.16 21.29 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.142 . . . . 0.0 110.347 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.721 HG12 HD13 ' A' ' 52' ' ' ILE . 3.0 m -138.93 156.22 27.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.539 1.149 . . . . 0.0 109.316 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 2.8 ptp180 -109.2 161.99 14.71 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.454 1.096 . . . . 0.0 110.304 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -96.7 101.35 12.94 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.429 1.081 . . . . 0.0 109.29 179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.584 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -87.85 164.71 15.76 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 110.324 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.584 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -20.22 -58.76 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.13 . . . . 0.0 110.993 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -154.35 23.59 0.48 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.533 1.145 . . . . 0.0 109.279 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.409 ' CB ' ' OE1' ' A' ' 72' ' ' GLU . 74.7 m -132.97 153.66 51.24 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.431 1.082 . . . . 0.0 109.994 179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 39.5 t -102.86 92.14 2.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 109.289 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.426 HD11 ' OE1' ' A' ' 72' ' ' GLU . 2.8 mp -94.77 145.48 8.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.514 1.134 . . . . 0.0 109.318 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.721 HD13 HG12 ' A' ' 43' ' ' VAL . 17.4 mm -59.9 146.5 10.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.497 1.123 . . . . 0.0 109.312 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 6.5 p -119.15 -44.26 2.6 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.124 . . . . 0.0 110.015 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.42 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 10.1 ttt-85 -151.57 159.31 44.15 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.484 1.115 . . . . 0.0 110.258 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.42 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 43.9 mm -124.32 121.7 62.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.468 1.105 . . . . 0.0 109.335 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 6.1 t -81.87 143.28 12.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.445 1.09 . . . . 0.0 109.307 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.414 ' HG2' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -78.83 138.37 38.13 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.552 1.157 . . . . 0.0 109.336 179.997 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.414 ' N ' ' HG2' ' A' ' 57' ' ' LYS . . . 84.86 1.69 88.81 Favored Glycine 0 CA--C 1.529 0.959 0 O-C-N 124.536 1.147 . . . . 0.0 111.015 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -82.61 144.84 23.44 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 111.001 -0.84 . . . . 0.0 111.001 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -48.64 -30.54 5.55 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 0.77 . . . . 0.0 109.306 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.438 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -66.74 -55.06 16.71 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.469 1.106 . . . . 0.0 109.332 179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.5 tt0 -63.21 -47.87 80.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.471 1.107 . . . . 0.0 110.271 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mtpp -45.05 -67.27 0.3 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.452 1.095 . . . . 0.0 109.303 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 60.5 p -57.72 -48.34 79.88 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 1.141 . . . . 0.0 110.003 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 81.6 44.34 7.92 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.491 1.12 . . . . 0.0 110.972 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.463 ' HB2' HD11 ' A' ' 31' ' ' ILE . 17.8 mt -113.69 -6.62 13.32 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.48 0.753 . . . . 0.0 109.261 179.982 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.62 HD11 HD12 ' A' ' 31' ' ' ILE . 4.4 mt -120.54 126.14 49.59 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.452 1.095 . . . . 0.0 109.287 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 1.6 m-70 -133.9 156.07 48.76 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.629 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.431 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 64.0 mt-10 -62.07 124.81 21.83 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.507 1.129 . . . . 0.0 110.296 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 111.37 -5.4 28.31 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.553 1.158 . . . . 0.0 110.995 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.457 ' OD1' ' HA ' ' A' ' 106' ' ' PRO . 14.1 m-20 -80.91 134.24 35.7 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.538 0.787 . . . . 0.0 109.246 -179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 28.7 tt0 -100.52 132.19 46.04 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.533 1.146 . . . . 0.0 110.302 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.573 HG12 HG13 ' A' ' 81' ' ' ILE . 10.2 t -99.6 141.34 17.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.336 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.468 HD11 HD11 ' A' ' 105' ' ' ILE . 1.0 OUTLIER -127.52 -47.01 1.44 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.486 1.116 . . . . 0.0 109.287 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.413 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt-10 -142.72 150.04 39.57 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.445 1.091 . . . . 0.0 110.302 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.543 HD12 ' CD1' ' A' ' 81' ' ' ILE . 73.4 mt -143.41 109.93 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.491 1.119 . . . . 0.0 109.264 -179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 2.3 m-20 65.66 11.64 7.67 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.525 1.14 . . . . 0.0 109.296 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 113.75 -27.17 9.45 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.448 1.092 . . . . 0.0 110.998 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.573 HG21 ' CD2' ' A' ' 92' ' ' LEU . 3.0 mp -70.96 135.0 28.98 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 O-C-N 124.464 0.744 . . . . 0.0 109.296 -179.954 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 25.1 tt0 -75.21 142.37 43.44 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.525 1.141 . . . . 0.0 110.253 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.573 HG13 HG12 ' A' ' 73' ' ' VAL . 5.6 mm -113.03 -23.01 4.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 109.255 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 2.4 tpt180 -53.36 119.91 5.38 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.53 1.144 . . . . 0.0 110.282 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . 87.05 -42.81 3.17 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.484 1.115 . . . . 0.0 110.989 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.407 ' C ' ' O ' ' A' ' 83' ' ' GLY . 29.1 mttm -40.05 118.87 0.94 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.468 0.746 . . . . 0.0 109.307 179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 49.9 t0 -55.03 172.44 0.12 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.526 1.142 . . . . 0.0 109.285 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.54 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 15.6 m -66.0 -44.61 92.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -61.01 -47.75 84.98 Favored 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.532 1.145 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.454 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -50.34 -51.4 45.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.514 1.134 . . . . 0.0 110.288 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.56 ' CG2' HG23 ' A' ' 81' ' ' ILE . 7.2 t -60.93 -56.03 20.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.553 1.158 . . . . 0.0 109.325 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.556 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 19.6 m-30 -50.62 -51.1 51.81 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.484 1.115 . . . . 0.0 111.029 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -61.04 -34.08 74.3 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.573 ' CD2' HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -63.14 -69.19 0.28 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 109.338 -179.989 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.4 mm? -43.93 -59.94 2.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.492 1.12 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.405 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.2 OUTLIER -38.1 -53.48 1.4 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.501 1.125 . . . . 0.0 110.012 179.944 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 57.8 t0 -59.64 -44.94 93.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.503 1.127 . . . . 0.0 109.271 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 12.4 mtm -75.16 165.35 25.35 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.476 1.11 . . . . 0.0 111.012 -179.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -161.78 174.54 13.06 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.441 1.088 . . . . 0.0 109.578 179.983 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 78.22 -166.71 52.85 Favored Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.523 1.14 . . . . 0.0 111.025 -179.974 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 87.4 m -68.3 97.83 0.77 Allowed 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.499 0.764 . . . . 0.0 110.41 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.556 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.2 OUTLIER -91.32 142.91 27.19 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.508 1.13 . . . . 0.0 109.359 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 25.5 m -95.74 99.63 11.44 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.523 1.139 . . . . 0.0 110.384 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.556 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 60.7 m-85 -88.09 117.94 27.32 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.539 1.149 . . . . 0.0 110.997 179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.479 HG13 HG13 ' A' ' 28' ' ' ILE . 4.3 t -106.1 94.14 2.95 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.602 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -137.15 160.92 37.57 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 109.268 -179.972 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.729 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.2 mt -104.49 124.16 38.03 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.511 1.132 . . . . 0.0 109.306 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.457 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -75.03 115.89 4.42 Favored 'Trans proline' 0 C--N 1.36 1.134 0 O-C-N 124.475 1.776 . . . . 0.0 111.005 -179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 40.2 t -73.65 80.17 1.52 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.513 1.133 . . . . 0.0 109.974 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 3.4 m -77.81 54.23 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.489 1.118 . . . . 0.0 109.956 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -59.2 110.1 2.5 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.545 1.153 . . . . 0.0 111.047 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.98 172.41 16.42 Favored 'Trans proline' 0 C--N 1.359 1.114 0 O-C-N 124.499 1.789 . . . . 0.0 111.027 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.2 t -137.69 141.46 41.1 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.501 1.126 . . . . 0.0 109.983 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -65.39 134.63 53.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.947 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.96 0 O-C-N 124.449 1.093 . . . . 0.0 111.048 179.979 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.956 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.7 t -152.0 168.49 25.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.485 0.756 . . . . 0.0 109.997 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.5 t -131.25 131.91 44.24 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.001 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 102.1 127.09 6.0 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.467 1.104 . . . . 0.0 111.013 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.6 m -152.78 169.16 23.45 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.485 0.756 . . . . 0.0 109.987 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -63.59 166.38 6.91 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 1.134 . . . . 0.0 109.992 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -51.83 173.57 0.2 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.536 1.148 . . . . 0.0 110.959 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -173.63 1.64 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.48 1.779 . . . . 0.0 110.993 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.405 ' O ' ' O ' ' A' ' 10' ' ' THR . 81.2 mt -107.93 154.96 8.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.499 1.124 . . . . 0.0 109.305 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.405 ' O ' ' O ' ' A' ' 9' ' ' ILE . 58.0 m 56.78 161.03 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.465 1.103 . . . . 0.0 110.388 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -114.14 107.34 15.49 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.7 tt0 -85.67 63.33 8.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.547 1.154 . . . . 0.0 110.248 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -148.35 18.97 1.07 Allowed 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.523 1.139 . . . . 0.0 110.309 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.686 HG12 ' O ' ' A' ' 14' ' ' VAL . 83.1 t -119.98 18.5 6.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.528 1.143 . . . . 0.0 109.274 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' CB ' HD11 ' A' ' 18' ' ' ILE . 48.1 m-85 -38.88 139.54 0.44 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.542 1.151 . . . . 0.0 110.966 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.417 ' O ' HD12 ' A' ' 18' ' ' ILE . 1.1 tp10 -75.92 -144.28 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.532 1.145 . . . . 0.0 110.23 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 m -57.65 111.88 1.27 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.498 1.124 . . . . 0.0 110.001 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.417 HD12 ' O ' ' A' ' 16' ' ' GLU . 2.6 mp -98.87 142.87 14.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 109.296 179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -76.08 60.93 3.06 Favored Glycine 0 CA--C 1.529 0.968 0 O-C-N 124.551 1.157 . . . . 0.0 110.993 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.3 t-160 -176.01 55.21 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 0.749 . . . . 0.0 109.553 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.8 m-30 -66.95 100.97 0.78 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.531 1.145 . . . . 0.0 110.976 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 77.52 -67.69 2.81 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.511 1.132 . . . . 0.0 110.989 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -153.76 -44.06 0.02 OUTLIER Glycine 0 CA--C 1.53 0.986 0 N-CA-C 110.981 -0.848 . . . . 0.0 110.981 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -60.34 -163.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.48 0.753 . . . . 0.0 110.296 -179.984 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.07 122.82 17.57 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.447 1.092 . . . . 0.0 110.422 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.626 HG12 ' CG1' ' A' ' 105' ' ' ILE . 5.6 m -107.43 138.42 33.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 1.129 . . . . 0.0 109.335 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.7 tttt -99.82 115.49 29.69 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.485 1.116 . . . . 0.0 109.317 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.454 HD12 ' N ' ' A' ' 28' ' ' ILE . 4.6 mp -86.26 146.95 5.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.329 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.646 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -150.68 118.94 0.84 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.465 1.103 . . . . 0.0 109.305 -179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 7.5 mtt180 -91.23 108.06 19.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.488 1.117 . . . . 0.0 110.273 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.607 ' CG1' HD12 ' A' ' 66' ' ' LEU . 81.2 mt -101.46 137.98 27.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.502 1.126 . . . . 0.0 109.356 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 30.8 mt-10 -90.15 119.64 30.65 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 1.16 . . . . 0.0 110.306 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.697 ' HZ3' ' N ' ' A' ' 39' ' ' LEU . 2.8 mtpp -119.96 125.34 48.16 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.537 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -70.58 172.6 8.29 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.312 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 54.0 mtm-85 -81.06 20.98 0.75 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.489 1.118 . . . . 0.0 110.28 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.408 ' H ' ' C ' ' A' ' 34' ' ' ALA . 1.7 t0 -174.18 34.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.48 1.113 . . . . 0.0 109.299 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.537 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -119.45 123.32 28.76 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.48 1.113 . . . . 0.0 109.31 -179.994 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.507 ' C ' ' NZ ' ' A' ' 33' ' ' LYS . 18.3 Cg_endo -75.0 157.86 42.53 Favored 'Trans proline' 0 C--N 1.36 1.142 0 O-C-N 124.462 1.77 . . . . 0.0 110.991 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.889 ' CD1' ' HB2' ' A' ' 61' ' ' ALA . 0.3 OUTLIER -64.91 -58.28 6.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.434 1.083 . . . . 0.0 109.275 -179.991 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 80.37 35.23 26.93 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.485 1.115 . . . . 0.0 111.025 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.693 ' HB3' HD12 ' A' ' 39' ' ' LEU . . . -143.4 122.71 13.04 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.505 0.767 . . . . 0.0 109.31 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 1.9 m -85.41 150.64 24.58 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.502 1.126 . . . . 0.0 110.372 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.749 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -139.6 148.69 23.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.521 1.138 . . . . 0.0 109.261 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.59 158.6 16.81 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.527 1.142 . . . . 0.0 110.301 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 13.2 t-20 -95.2 124.04 39.03 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.494 1.122 . . . . 0.0 109.294 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.587 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.6 mm-40 -107.04 165.06 11.63 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.471 1.107 . . . . 0.0 110.299 -179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.587 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.9 mmm -19.66 -57.84 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.559 1.162 . . . . 0.0 111.043 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.431 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.4 m-20 -153.23 22.65 0.55 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.449 1.093 . . . . 0.0 109.306 179.983 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 70.4 m -133.3 153.53 51.49 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.481 1.113 . . . . 0.0 110.032 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 57.4 t -106.67 100.94 11.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.55 1.156 . . . . 0.0 109.295 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.513 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp -102.15 154.04 5.17 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.499 1.124 . . . . 0.0 109.354 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.662 HD13 HG12 ' A' ' 43' ' ' VAL . 3.9 mm -68.59 149.32 11.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.48 1.112 . . . . 0.0 109.266 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -118.82 -46.88 2.53 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.518 1.137 . . . . 0.0 109.995 179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.436 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 4.7 ttt180 -150.05 162.95 39.39 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.479 1.112 . . . . 0.0 110.332 179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.503 HD13 ' HB1' ' A' ' 41' ' ' ALA . 13.2 mm -127.32 120.18 54.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.2 t -82.62 147.18 6.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 O-C-N 124.535 1.147 . . . . 0.0 109.321 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.5 tppp? -91.91 134.99 34.28 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.487 1.117 . . . . 0.0 109.283 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 102.09 -9.25 56.31 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.487 1.117 . . . . 0.0 111.063 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -77.65 -174.14 41.43 Favored Glycine 0 CA--C 1.531 1.05 0 N-CA-C 111.019 -0.832 . . . . 0.0 111.019 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -83.82 -40.68 18.4 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.535 0.786 . . . . 0.0 109.345 179.962 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.889 ' HB2' ' CD1' ' A' ' 39' ' ' LEU . . . -59.67 -55.14 38.15 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.445 1.091 . . . . 0.0 109.249 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.449 ' OE1' ' N ' ' A' ' 63' ' ' LYS . 0.4 OUTLIER -48.09 -71.71 0.06 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.48 1.113 . . . . 0.0 110.31 -179.975 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.449 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 3.5 mttt -38.14 -65.55 0.33 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.34 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 47.9 p -45.45 -44.02 11.94 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.469 1.106 . . . . 0.0 110.038 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 66.99 33.56 84.22 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.555 1.159 . . . . 0.0 111.011 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.607 HD12 ' CG1' ' A' ' 31' ' ' ILE . 9.9 mt -105.58 -1.47 24.67 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.5 0.765 . . . . 0.0 109.309 -179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.758 ' CD2' HD21 ' A' ' 104' ' ' LEU . 4.5 mt -127.35 129.69 48.08 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.525 1.14 . . . . 0.0 109.28 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -133.76 153.58 51.6 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.501 1.126 . . . . 0.0 109.545 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 31.3 mt-10 -60.25 130.36 46.24 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.455 1.097 . . . . 0.0 110.287 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.55 -3.5 36.86 Favored Glycine 0 CA--C 1.531 1.05 0 O-C-N 124.531 1.144 . . . . 0.0 110.998 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.454 ' OD1' ' HA ' ' A' ' 106' ' ' PRO . 18.9 m-20 -84.22 128.48 34.6 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.539 0.787 . . . . 0.0 109.301 -179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.493 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.3 tt0 -92.32 130.4 38.02 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.544 1.152 . . . . 0.0 110.265 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.592 HG12 HG13 ' A' ' 81' ' ' ILE . 19.9 t -90.87 138.79 18.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.546 1.154 . . . . 0.0 109.28 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.819 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.3 OUTLIER -126.68 -55.19 1.41 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.538 1.149 . . . . 0.0 109.306 -179.983 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.404 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.3 mt-10 -134.92 144.76 47.66 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.482 1.113 . . . . 0.0 110.273 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.765 HG21 HD21 ' A' ' 93' ' ' LEU . 41.3 mt -137.81 106.92 4.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.552 1.158 . . . . 0.0 109.31 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.747 ' ND2' HD23 ' A' ' 100' ' ' LEU . 1.6 t-20 69.87 9.52 7.16 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.486 1.116 . . . . 0.0 109.303 -179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.75 -27.2 8.9 Favored Glycine 0 CA--C 1.53 0.974 0 O-C-N 124.528 1.143 . . . . 0.0 110.995 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.411 HG21 ' CD2' ' A' ' 92' ' ' LEU . 3.1 mp -71.1 138.62 21.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.507 0.769 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 2.8 mt-10 -74.45 156.44 36.97 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.489 1.118 . . . . 0.0 110.332 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.592 HG13 HG12 ' A' ' 73' ' ' VAL . 3.5 mm -126.61 -45.98 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.53 1.144 . . . . 0.0 109.268 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.819 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.2 OUTLIER -39.34 115.29 0.48 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.468 1.105 . . . . 0.0 110.298 -179.977 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.35 -43.46 1.82 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.499 1.124 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.8 mttm -44.89 133.9 6.0 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.501 0.765 . . . . 0.0 109.348 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 35.8 t0 -58.83 141.2 53.89 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.5 1.125 . . . . 0.0 109.341 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.749 HG23 HG23 ' A' ' 43' ' ' VAL . 7.4 p -47.66 -31.87 2.65 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.496 1.123 . . . . 0.0 109.248 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.473 ' HA ' ' CD2' ' A' ' 90' ' ' PHE . 0.3 OUTLIER -76.23 -43.28 42.85 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.524 1.14 . . . . 0.0 109.311 180.0 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.666 ' O ' HD12 ' A' ' 92' ' ' LEU . 1.6 mm-40 -49.29 -43.05 42.94 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.521 1.138 . . . . 0.0 110.321 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.525 ' CG2' HG23 ' A' ' 81' ' ' ILE . 47.9 t -63.15 -53.61 43.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.46 1.1 . . . . 0.0 109.365 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.657 ' CE1' HG22 ' A' ' 43' ' ' VAL . 22.9 m-30 -46.51 -54.32 9.53 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.504 1.127 . . . . 0.0 111.019 179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . 0.4 ' O ' ' C ' ' A' ' 92' ' ' LEU . 1.2 t0 -58.54 -53.38 59.01 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.312 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.666 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -39.51 -68.44 0.17 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.288 179.987 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.765 HD21 HG21 ' A' ' 76' ' ' ILE . 70.6 mt -50.67 -42.37 56.57 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.273 -179.989 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -59.22 -16.16 19.26 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 34.3 t70 -114.78 23.23 12.81 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.474 1.109 . . . . 0.0 109.309 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.528 ' HE3' HD23 ' A' ' 93' ' ' LEU . 19.7 mtm -134.74 147.05 49.95 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.509 1.131 . . . . 0.0 111.006 179.963 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -147.45 155.02 41.53 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.487 1.117 . . . . 0.0 109.593 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 97.93 -177.84 31.76 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.555 1.159 . . . . 0.0 110.983 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 4.4 m -66.26 108.63 2.37 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.505 0.768 . . . . 0.0 110.333 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.747 HD23 ' ND2' ' A' ' 77' ' ' ASN . 0.6 OUTLIER -102.53 143.66 31.94 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.105 . . . . 0.0 109.334 179.94 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.442 HG23 ' CG2' ' A' ' 28' ' ' ILE . 13.0 m -95.55 101.78 13.52 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.124 . . . . 0.0 110.414 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.646 ' HB2' HG23 ' A' ' 29' ' ' VAL . 44.1 m-85 -83.97 118.39 23.99 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.115 . . . . 0.0 110.997 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 14.7 t -108.77 94.37 3.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.558 1.161 . . . . 0.0 109.287 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.758 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.5 OUTLIER -139.52 159.85 41.2 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.517 1.135 . . . . 0.0 109.319 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.626 ' CG1' HG12 ' A' ' 26' ' ' VAL . 2.4 mt -107.42 129.97 23.5 Favored Pre-proline 0 C--N 1.324 -0.503 0 O-C-N 124.508 1.13 . . . . 0.0 109.332 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.454 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 18.3 Cg_endo -74.95 119.53 5.7 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.457 1.767 . . . . 0.0 111.034 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 32.5 t -75.33 80.32 2.41 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 110.002 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 2.9 t -76.48 55.3 1.0 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.497 1.123 . . . . 0.0 110.007 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -60.77 -145.32 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.475 1.109 . . . . 0.0 110.96 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.97 115.01 4.16 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.502 1.791 . . . . 0.0 111.051 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -147.85 139.08 23.52 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.517 1.136 . . . . 0.0 110.032 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 22.2 p -56.26 119.01 5.27 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.508 1.13 . . . . 0.0 109.994 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.003 0 O-C-N 124.457 1.098 . . . . 0.0 110.963 179.975 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.024 0 N-CA-C 111.023 -0.831 . . . . 0.0 111.023 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 m -49.0 -59.3 3.73 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.569 0.805 . . . . 0.0 109.977 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 68.9 m -164.21 97.6 0.81 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.999 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 117.58 154.58 9.92 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.541 1.15 . . . . 0.0 111.04 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 26.5 t -173.96 111.62 0.17 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.519 0.776 . . . . 0.0 110.01 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.2 t -161.75 171.05 18.5 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.497 1.123 . . . . 0.0 109.996 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.39 144.77 3.95 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.56 1.162 . . . . 0.0 110.99 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 56.83 4.37 Favored 'Trans proline' 0 C--N 1.36 1.152 0 O-C-N 124.428 1.752 . . . . 0.0 111.053 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 5.7 mt -72.05 140.54 17.92 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -144.06 -148.86 0.25 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.518 1.137 . . . . 0.0 110.384 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 9.4 t0 -93.18 -145.35 0.23 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.54 1.15 . . . . 0.0 109.259 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.527 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 5.6 tt0 -112.54 55.11 0.69 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.508 1.13 . . . . 0.0 110.359 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -141.08 12.16 2.2 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.521 1.138 . . . . 0.0 110.29 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.489 HG12 ' O ' ' A' ' 14' ' ' VAL . 21.7 t -99.69 19.17 2.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.502 1.126 . . . . 0.0 109.24 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 24.2 m-85 -37.91 133.82 0.82 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.546 1.154 . . . . 0.0 111.001 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -66.17 -143.57 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.459 1.099 . . . . 0.0 110.276 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 15.5 m -58.48 120.23 8.44 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.128 . . . . 0.0 109.976 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.6 mt -108.77 142.75 20.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.492 1.12 . . . . 0.0 109.293 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -73.65 63.25 1.9 Allowed Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.504 1.127 . . . . 0.0 110.993 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 3.4 t-160 -172.84 50.55 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.526 0.78 . . . . 0.0 109.612 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.589 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.6 m-30 -67.25 95.04 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.458 1.099 . . . . 0.0 111.024 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 76.74 -72.49 2.01 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.542 1.151 . . . . 0.0 111.009 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -148.38 -45.47 0.03 OUTLIER Glycine 0 CA--C 1.53 1.019 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -57.57 -162.89 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.463 0.743 . . . . 0.0 110.282 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.91 122.25 17.11 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.51 1.131 . . . . 0.0 110.402 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.589 HG21 ' CD1' ' A' ' 21' ' ' TYR . 5.5 m -104.97 137.2 35.39 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.494 1.121 . . . . 0.0 109.278 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.7 tttt -102.65 110.7 22.73 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.545 1.153 . . . . 0.0 109.289 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.533 HG23 HG23 ' A' ' 101' ' ' THR . 4.6 mp -81.6 124.06 38.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.492 1.12 . . . . 0.0 109.297 -179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.482 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -126.83 119.34 53.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.497 1.123 . . . . 0.0 109.294 -179.972 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 24.5 mtp180 -94.52 116.35 28.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.488 1.118 . . . . 0.0 110.361 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.578 HD12 HD11 ' A' ' 67' ' ' LEU . 76.1 mt -108.02 136.11 44.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.518 1.136 . . . . 0.0 109.256 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 15.7 mt-10 -93.14 114.82 27.44 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.445 1.09 . . . . 0.0 110.297 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.474 ' HB2' HD11 ' A' ' 100' ' ' LEU . 7.9 mtpm? -121.27 130.33 53.61 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.484 1.115 . . . . 0.0 109.308 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.494 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -72.93 172.24 11.3 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.474 1.109 . . . . 0.0 109.264 -179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 7.2 mtm-85 -81.53 17.61 1.37 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.327 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.1 t0 -163.68 31.56 0.08 Allowed 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.514 1.134 . . . . 0.0 109.253 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.494 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.8 OUTLIER -117.45 129.41 25.36 Favored Pre-proline 0 C--N 1.325 -0.486 0 O-C-N 124.468 1.105 . . . . 0.0 109.314 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 154.63 42.4 Favored 'Trans proline' 0 C--N 1.36 1.153 0 O-C-N 124.512 1.796 . . . . 0.0 110.961 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.4 HD22 HD12 ' A' ' 93' ' ' LEU . 25.8 tp -66.24 -58.76 4.68 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.522 1.139 . . . . 0.0 109.309 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.42 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 75.55 36.74 42.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.454 1.097 . . . . 0.0 110.98 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.419 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.22 116.88 8.12 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.514 0.773 . . . . 0.0 109.263 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 3.2 m -85.65 158.18 20.14 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.504 1.128 . . . . 0.0 110.377 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.682 HG22 ' CZ ' ' A' ' 90' ' ' PHE . 3.5 m -148.01 146.48 17.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.528 1.142 . . . . 0.0 109.334 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.26 163.18 12.4 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.436 1.085 . . . . 0.0 110.264 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -97.4 98.35 9.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.579 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.1 mm-40 -81.26 164.85 21.95 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.122 . . . . 0.0 110.286 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.579 ' C ' ' O ' ' A' ' 46' ' ' GLU . 4.4 mmm -20.07 -58.98 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.502 1.126 . . . . 0.0 111.024 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 39.8 m-20 -155.06 24.12 0.43 Allowed 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.49 1.119 . . . . 0.0 109.269 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.8 m -132.8 153.06 51.61 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.503 ' C ' HD12 ' A' ' 51' ' ' ILE . 79.1 t -103.0 98.44 6.81 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.43 1.081 . . . . 0.0 109.305 179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.634 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.0 mp -102.64 151.61 5.98 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.498 1.124 . . . . 0.0 109.284 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 39.9 mm -64.09 143.65 15.47 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.467 1.105 . . . . 0.0 109.323 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -114.55 -45.66 3.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.48 1.112 . . . . 0.0 109.996 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.44 ' O ' HD13 ' A' ' 55' ' ' ILE . 3.1 ttt-85 -153.2 160.59 42.84 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.498 1.124 . . . . 0.0 110.312 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.44 HD13 ' O ' ' A' ' 54' ' ' ARG . 40.6 mm -122.38 120.61 61.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.486 1.116 . . . . 0.0 109.312 -179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.42 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 11.5 t -84.67 144.64 9.38 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 O-C-N 124.498 1.124 . . . . 0.0 109.301 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.42 ' HG2' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -82.62 137.84 34.39 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.529 1.143 . . . . 0.0 109.29 179.975 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.42 ' N ' ' HG2' ' A' ' 57' ' ' LYS . . . 91.91 3.62 67.99 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.481 1.113 . . . . 0.0 111.001 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -88.89 164.76 32.78 Favored Glycine 0 CA--C 1.53 0.991 0 N-CA-C 110.99 -0.844 . . . . 0.0 110.99 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -69.39 -20.77 63.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.451 0.736 . . . . 0.0 109.305 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.465 ' CB ' HD12 ' A' ' 67' ' ' LEU . . . -75.22 -51.39 13.43 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.507 1.129 . . . . 0.0 109.32 179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 9.2 tt0 -58.12 -64.55 0.87 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.512 1.133 . . . . 0.0 110.332 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -39.89 -64.15 0.52 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 109.302 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 86.0 p -54.89 -49.63 70.74 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.551 1.157 . . . . 0.0 110.016 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.84 46.63 16.77 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.51 1.131 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.562 HD12 ' CG1' ' A' ' 31' ' ' ILE . 17.4 mt -115.07 -8.38 12.44 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.483 0.755 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.578 HD11 HD12 ' A' ' 31' ' ' ILE . 1.8 mt -120.93 125.67 48.02 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.477 1.11 . . . . 0.0 109.295 -179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 20.9 m80 -134.39 156.99 47.55 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 1.1 . . . . 0.0 109.623 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 51.8 mt-10 -62.1 114.04 3.19 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.497 1.123 . . . . 0.0 110.291 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 123.05 -10.59 8.81 Favored Glycine 0 CA--C 1.531 1.072 0 O-C-N 124.489 1.118 . . . . 0.0 110.973 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.413 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 31.7 m-20 -77.33 134.69 38.43 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.558 0.799 . . . . 0.0 109.278 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.577 ' OE1' HD11 ' A' ' 51' ' ' ILE . 20.1 tt0 -101.61 133.7 45.89 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.467 1.105 . . . . 0.0 110.287 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.617 HG12 HG13 ' A' ' 81' ' ' ILE . 30.8 t -98.72 140.9 17.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.536 1.148 . . . . 0.0 109.287 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.479 HD11 ' CD1' ' A' ' 105' ' ' ILE . 0.7 OUTLIER -129.28 -51.3 1.19 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.553 1.158 . . . . 0.0 109.268 -179.991 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.2 mt-10 -137.87 144.56 41.44 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.506 1.129 . . . . 0.0 110.301 -179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.711 HG21 HD21 ' A' ' 93' ' ' LEU . 49.8 mt -135.52 107.14 7.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.544 1.152 . . . . 0.0 109.311 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.4 m-20 64.58 13.59 8.36 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.502 1.127 . . . . 0.0 109.297 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 112.68 -24.01 14.09 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.529 1.143 . . . . 0.0 111.016 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.774 HG21 HD22 ' A' ' 92' ' ' LEU . 3.0 mp -72.38 133.25 32.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 0.755 . . . . 0.0 109.238 -179.962 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.31 151.23 41.39 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.464 1.102 . . . . 0.0 110.34 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.617 HG13 HG12 ' A' ' 73' ' ' VAL . 4.0 mm -123.35 -42.85 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.478 1.111 . . . . 0.0 109.296 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -38.31 114.28 0.35 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.483 1.115 . . . . 0.0 110.29 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 84' ' ' LYS . . . 96.84 -45.57 1.81 Allowed Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.526 1.141 . . . . 0.0 111.023 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.445 ' N ' ' O ' ' A' ' 81' ' ' ILE . 27.0 mttm -40.32 135.97 1.35 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 0.763 . . . . 0.0 109.329 179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.414 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 10.0 t70 -68.92 159.5 32.54 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.519 1.137 . . . . 0.0 109.305 -179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.495 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 19.0 m -55.53 -41.98 66.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.313 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 1.7 m-20 -63.67 -47.75 79.97 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.491 1.119 . . . . 0.0 109.31 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.496 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.5 OUTLIER -49.31 -51.89 31.3 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.487 1.117 . . . . 0.0 110.294 -179.996 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.475 ' CG2' HG23 ' A' ' 81' ' ' ILE . 55.6 t -58.67 -58.46 6.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.51 1.131 . . . . 0.0 109.338 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.682 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 20.3 m-85 -49.4 -52.22 29.99 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.477 1.111 . . . . 0.0 111.009 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -59.63 -42.43 92.69 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.774 HD22 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -51.26 -71.31 0.07 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.504 1.128 . . . . 0.0 109.285 179.993 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.711 HD21 HG21 ' A' ' 76' ' ' ILE . 88.4 mt -45.92 -51.08 13.83 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.448 1.092 . . . . 0.0 109.313 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.11 -57.63 1.27 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.457 1.098 . . . . 0.0 109.954 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 7.7 t70 -60.79 -39.03 87.34 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.509 1.13 . . . . 0.0 109.276 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.574 ' HE2' HD23 ' A' ' 93' ' ' LEU . 14.1 mtm -75.25 160.8 29.95 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.562 1.164 . . . . 0.0 111.021 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -161.81 149.44 14.62 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.511 1.132 . . . . 0.0 109.628 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.454 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 101.25 -168.18 19.78 Favored Glycine 0 CA--C 1.531 1.04 0 O-C-N 124.492 1.12 . . . . 0.0 110.977 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 50.7 m -67.16 97.82 0.55 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 0.758 . . . . 0.0 110.431 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.568 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.3 OUTLIER -94.21 138.64 32.0 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.504 1.127 . . . . 0.0 109.283 -179.963 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.533 HG23 HG23 ' A' ' 28' ' ' ILE . 5.1 m -90.97 99.94 12.89 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.475 1.109 . . . . 0.0 110.385 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.568 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 74.4 m-85 -89.13 118.35 28.78 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.469 1.106 . . . . 0.0 110.967 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 44.9 t -102.2 94.74 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.485 1.116 . . . . 0.0 109.303 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -136.7 160.34 39.11 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 179.982 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.479 ' CD1' HD11 ' A' ' 74' ' ' LEU . 3.2 mt -108.86 127.2 27.77 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.565 1.166 . . . . 0.0 109.271 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.406 ' HA ' ' OD1' ' A' ' 71' ' ' ASP . 18.2 Cg_endo -75.02 118.77 5.38 Favored 'Trans proline' 0 C--N 1.36 1.168 0 O-C-N 124.485 1.782 . . . . 0.0 111.015 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.5 t -72.02 79.82 0.93 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.501 1.125 . . . . 0.0 109.988 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -76.99 55.05 1.08 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.5 1.125 . . . . 0.0 109.973 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -63.19 111.67 4.32 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.474 1.109 . . . . 0.0 111.007 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.95 95.94 0.99 Allowed 'Trans proline' 0 C--N 1.359 1.117 0 O-C-N 124.475 1.776 . . . . 0.0 111.013 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -138.06 157.32 46.58 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.456 1.097 . . . . 0.0 110.014 179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -95.29 98.29 10.48 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.986 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.563 1.164 . . . . 0.0 111.002 179.999 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.032 0 N-CA-C 110.984 -0.847 . . . . 0.0 110.984 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -50.45 -60.4 3.04 Favored 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.489 0.758 . . . . 0.0 109.972 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 47.9 t -176.66 75.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.524 1.14 . . . . 0.0 109.965 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.31 154.82 7.13 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.555 1.159 . . . . 0.0 111.041 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -133.87 142.13 47.67 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 0.79 . . . . 0.0 110.018 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -64.43 112.52 3.15 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.478 1.111 . . . . 0.0 110.014 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.17 108.1 0.37 Allowed Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.556 1.16 . . . . 0.0 111.021 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 -169.57 0.65 Allowed 'Trans proline' 0 C--N 1.361 1.189 0 O-C-N 124.455 1.766 . . . . 0.0 111.003 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 15.5 mm -86.86 132.05 33.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.509 1.131 . . . . 0.0 109.287 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 1.1 t -59.21 157.47 10.55 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.54 1.15 . . . . 0.0 110.416 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 1.3 t0 -152.6 39.25 0.55 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.493 1.121 . . . . 0.0 109.254 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.633 ' O ' ' CE2' ' A' ' 15' ' ' TYR . 10.9 tt0 76.09 4.58 3.76 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.463 1.102 . . . . 0.0 110.309 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 31.5 mtt-85 -132.5 74.72 1.59 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.26 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.616 HG12 ' O ' ' A' ' 14' ' ' VAL . 62.1 t -145.83 23.18 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 109.282 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.891 ' CD1' HD11 ' A' ' 18' ' ' ILE . 0.1 OUTLIER -111.56 -170.07 1.58 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.503 1.127 . . . . 0.0 110.982 -179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -103.24 -148.34 0.39 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.54 1.15 . . . . 0.0 110.255 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.5 p -55.88 110.6 0.76 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.509 1.131 . . . . 0.0 110.013 179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.891 HD11 ' CD1' ' A' ' 15' ' ' TYR . 25.6 mm -73.0 -24.78 21.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.528 1.142 . . . . 0.0 109.292 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.453 ' O ' HG22 ' A' ' 26' ' ' VAL . . . 79.71 -78.65 1.75 Allowed Glycine 0 CA--C 1.53 0.97 0 O-C-N 124.513 1.133 . . . . 0.0 111.037 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.457 ' CG ' ' O ' ' A' ' 20' ' ' HIS . 4.7 p80 -77.71 65.12 3.12 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.472 0.748 . . . . 0.0 109.579 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.722 ' CD1' HG21 ' A' ' 26' ' ' VAL . 4.7 m-85 -56.1 96.48 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.531 1.145 . . . . 0.0 110.99 179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 63.0 -123.79 30.98 Favored Glycine 0 CA--C 1.531 1.045 0 O-C-N 124.538 1.149 . . . . 0.0 110.977 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -99.9 -25.96 8.75 Favored Glycine 0 CA--C 1.53 0.98 0 N-CA-C 110.989 -0.844 . . . . 0.0 110.989 -179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -72.15 -169.04 0.45 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.435 0.727 . . . . 0.0 110.284 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.9 124.3 19.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.508 1.13 . . . . 0.0 110.352 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.722 HG21 ' CD1' ' A' ' 21' ' ' TYR . 11.6 m -107.77 161.32 6.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.485 1.116 . . . . 0.0 109.311 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 18.7 ttpt -120.23 118.96 31.83 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.516 1.135 . . . . 0.0 109.275 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.646 HG23 HG23 ' A' ' 101' ' ' THR . 3.9 mp -95.78 110.9 25.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.422 1.076 . . . . 0.0 109.27 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.466 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -116.99 117.86 56.84 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.543 1.152 . . . . 0.0 109.261 179.99 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 8.9 mtt85 -94.14 119.08 32.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.525 1.14 . . . . 0.0 110.266 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.972 HG13 HD12 ' A' ' 66' ' ' LEU . 64.6 mt -117.26 139.0 46.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.497 1.123 . . . . 0.0 109.289 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 17.5 mt-10 -86.83 119.11 26.7 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.467 1.104 . . . . 0.0 110.307 179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.701 ' HZ1' ' HB3' ' A' ' 60' ' ' ALA . 0.5 OUTLIER -117.64 159.33 23.11 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.496 1.123 . . . . 0.0 109.322 179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.812 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -108.46 169.84 8.4 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.485 1.116 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.436 ' HG2' ' CG ' ' A' ' 97' ' ' HIS . 0.0 OUTLIER -81.32 5.18 18.1 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.471 1.107 . . . . 0.0 110.294 -179.981 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -151.0 24.19 0.75 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.546 1.154 . . . . 0.0 109.297 -179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.812 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.4 OUTLIER -112.39 123.08 34.92 Favored Pre-proline 0 C--N 1.324 -0.505 0 O-C-N 124.513 1.133 . . . . 0.0 109.317 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.02 135.23 18.77 Favored 'Trans proline' 0 C--N 1.36 1.174 0 O-C-N 124.459 1.768 . . . . 0.0 111.026 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.422 ' HA ' ' CE ' ' A' ' 33' ' ' LYS . 7.8 tp -46.6 -51.83 14.87 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.488 1.117 . . . . 0.0 109.312 -179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.95 35.27 45.17 Favored Glycine 0 CA--C 1.53 1.031 0 O-C-N 124.542 1.151 . . . . 0.0 111.01 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.468 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.63 122.7 11.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.53 0.782 . . . . 0.0 109.319 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.425 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.0 OUTLIER -85.66 154.0 21.97 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.101 . . . . 0.0 110.39 -179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -145.14 146.06 20.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.471 1.107 . . . . 0.0 109.311 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -106.62 158.29 17.06 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 110.291 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.4 t-20 -95.48 119.51 34.1 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.493 1.121 . . . . 0.0 109.305 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.592 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.7 mm-40 -102.65 164.93 11.36 Favored 'General case' 0 C--N 1.326 -0.426 0 O-C-N 124.53 1.144 . . . . 0.0 110.295 179.991 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.592 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.7 mmt -19.53 -57.88 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.548 1.155 . . . . 0.0 111.006 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.44 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.6 m-20 -154.9 23.66 0.44 Allowed 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.504 1.128 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 59.1 m -133.6 153.48 51.63 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 1.157 . . . . 0.0 110.012 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.493 ' C ' HD12 ' A' ' 51' ' ' ILE . 46.4 t -106.64 105.07 18.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.536 1.147 . . . . 0.0 109.311 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 51' ' ' ILE . 2.9 mp -107.25 152.78 8.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.508 1.13 . . . . 0.0 109.285 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 10.5 mm -67.37 148.55 11.98 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.53 1.144 . . . . 0.0 109.301 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -117.54 -49.48 2.56 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.517 1.135 . . . . 0.0 109.953 -179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.482 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 13.8 ttp-105 -148.21 159.38 44.02 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.447 1.092 . . . . 0.0 110.334 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.688 HG22 ' OE1' ' A' ' 62' ' ' GLU . 37.3 mm -122.42 114.89 44.3 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.485 1.116 . . . . 0.0 109.315 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.2 t -80.74 147.46 6.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.467 1.105 . . . . 0.0 109.286 179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.415 ' HG3' ' N ' ' A' ' 58' ' ' GLY . 0.3 OUTLIER -78.46 155.91 29.62 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 1.112 . . . . 0.0 109.313 179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.421 ' HA2' ' CE ' ' A' ' 63' ' ' LYS . . . 65.27 9.78 44.27 Favored Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.484 1.115 . . . . 0.0 110.998 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -86.61 143.48 19.22 Favored Glycine 0 CA--C 1.53 0.974 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.701 ' HB3' ' HZ1' ' A' ' 33' ' ' LYS . . . -53.05 -26.25 15.29 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.496 0.763 . . . . 0.0 109.323 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.468 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -78.95 -44.5 22.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.49 1.119 . . . . 0.0 109.317 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.688 ' OE1' HG22 ' A' ' 55' ' ' ILE . 4.6 tt0 -70.72 -52.77 18.73 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.53 1.144 . . . . 0.0 110.267 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.421 ' CE ' ' HA2' ' A' ' 58' ' ' GLY . 0.1 OUTLIER -39.16 -62.07 0.69 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.521 1.138 . . . . 0.0 109.294 -179.988 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.7 p -62.43 -44.09 97.26 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.537 1.148 . . . . 0.0 110.012 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.422 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 78.83 38.18 24.16 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.549 1.155 . . . . 0.0 110.979 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.972 HD12 HG13 ' A' ' 31' ' ' ILE . 7.2 mt -98.9 -12.87 20.34 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.461 0.742 . . . . 0.0 109.33 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.502 HD11 HD21 ' A' ' 104' ' ' LEU . 3.7 mm? -105.02 130.6 53.19 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.543 1.152 . . . . 0.0 109.279 -179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -133.54 129.6 37.3 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.515 1.134 . . . . 0.0 109.595 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -45.75 126.39 6.99 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.522 1.139 . . . . 0.0 110.323 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 107.16 1.79 35.82 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.539 1.149 . . . . 0.0 110.966 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.456 ' OD1' HD13 ' A' ' 104' ' ' LEU . 1.1 m-20 -86.76 129.2 34.96 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.517 0.775 . . . . 0.0 109.324 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.482 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 29.0 tt0 -94.88 128.68 41.83 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.478 1.111 . . . . 0.0 110.331 179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.601 HG12 HG13 ' A' ' 81' ' ' ILE . 39.4 t -88.87 137.75 20.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.522 1.139 . . . . 0.0 109.29 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.662 HD23 ' CD ' ' A' ' 82' ' ' ARG . 0.4 OUTLIER -124.98 -49.07 1.73 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.523 1.14 . . . . 0.0 109.292 179.999 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.1 mt-10 -141.74 145.78 35.24 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.496 1.123 . . . . 0.0 110.303 179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.547 HD12 HD11 ' A' ' 81' ' ' ILE . 77.4 mt -138.42 109.4 5.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.535 1.147 . . . . 0.0 109.319 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 68.07 12.89 8.98 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.541 1.151 . . . . 0.0 109.269 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 111.05 -27.93 10.35 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.518 1.136 . . . . 0.0 110.986 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.4 mp -70.7 137.47 23.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 0.748 . . . . 0.0 109.288 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.453 ' O ' ' CE ' ' A' ' 84' ' ' LYS . 4.6 tt0 -76.23 148.51 37.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.503 1.127 . . . . 0.0 110.291 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.611 ' CD1' HG22 ' A' ' 89' ' ' VAL . 3.5 mm -116.64 -43.96 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.498 1.124 . . . . 0.0 109.328 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.662 ' CD ' HD23 ' A' ' 74' ' ' LEU . 0.3 OUTLIER -38.23 114.94 0.4 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.527 1.142 . . . . 0.0 110.271 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 101.14 -44.58 1.53 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.441 1.088 . . . . 0.0 111.001 -179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.453 ' CE ' ' O ' ' A' ' 80' ' ' GLU . 22.7 mttm -42.66 141.33 1.06 Allowed 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.505 0.767 . . . . 0.0 109.295 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.45 ' O ' ' N ' ' A' ' 88' ' ' GLU . 9.9 t0 -70.97 140.53 50.91 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.14 . . . . 0.0 109.274 179.996 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.958 HG23 HG23 ' A' ' 43' ' ' VAL . 7.9 p -43.96 -34.9 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.495 1.122 . . . . 0.0 109.274 -179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -75.42 -42.62 53.17 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.298 -179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -50.92 -45.44 60.39 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.464 1.103 . . . . 0.0 110.299 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.611 HG22 ' CD1' ' A' ' 81' ' ' ILE . 37.2 t -60.5 -50.01 82.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.501 1.126 . . . . 0.0 109.27 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.68 ' CE1' HG22 ' A' ' 43' ' ' VAL . 13.5 m-30 -54.52 -48.11 72.31 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.47 1.106 . . . . 0.0 110.998 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.74 -30.9 71.78 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.528 1.143 . . . . 0.0 109.304 -179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.456 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -67.13 -69.63 0.3 Allowed 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.316 179.982 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.46 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.2 mm? -41.88 -60.93 1.23 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.496 1.122 . . . . 0.0 109.323 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.49 -52.33 1.59 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.507 1.13 . . . . 0.0 110.044 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.89 -44.03 97.64 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.485 1.116 . . . . 0.0 109.28 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.46 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.5 mtm -74.09 164.21 26.9 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.548 1.155 . . . . 0.0 110.986 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.436 ' CG ' ' HG2' ' A' ' 35' ' ' ARG . 1.5 p80 -164.2 159.83 20.6 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.458 1.098 . . . . 0.0 109.63 179.999 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 92.39 -164.17 28.02 Favored Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.484 1.115 . . . . 0.0 110.964 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 26.7 m -68.48 97.78 0.8 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.555 0.797 . . . . 0.0 110.428 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.665 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.3 OUTLIER -92.15 141.14 28.92 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.508 1.13 . . . . 0.0 109.274 -179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.646 HG23 HG23 ' A' ' 28' ' ' ILE . 4.8 m -96.7 103.12 15.01 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.499 1.125 . . . . 0.0 110.398 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.57 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 77.2 m-85 -92.65 119.98 32.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 1.11 . . . . 0.0 110.975 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.567 HG13 HG13 ' A' ' 28' ' ' ILE . 4.8 t -111.35 94.84 3.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.444 1.09 . . . . 0.0 109.31 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.502 HD21 HD11 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -131.79 163.82 27.39 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.501 1.126 . . . . 0.0 109.299 179.989 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.412 HG13 HD11 ' A' ' 74' ' ' LEU . 11.3 mt -108.3 128.83 24.95 Favored Pre-proline 0 C--N 1.325 -0.5 0 O-C-N 124.531 1.144 . . . . 0.0 109.289 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.99 118.38 5.25 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.486 1.782 . . . . 0.0 110.997 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.473 ' O ' ' CB ' ' A' ' 108' ' ' SER . 7.1 t -77.7 64.89 3.07 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.51 1.132 . . . . 0.0 109.967 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.473 ' CB ' ' O ' ' A' ' 107' ' ' SER . 0.8 OUTLIER 82.9 -7.23 1.23 Allowed 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.557 1.16 . . . . 0.0 109.969 179.971 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 39.14 -100.38 0.01 OUTLIER Glycine 0 CA--C 1.53 1.022 0 O-C-N 124.474 1.109 . . . . 0.0 110.995 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.04 83.58 1.8 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.78 . . . . 0.0 110.972 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -114.28 88.51 2.87 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.553 1.158 . . . . 0.0 109.974 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 68.5 p -100.61 143.45 30.77 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.503 1.127 . . . . 0.0 110.047 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.999 0 O-C-N 124.5 1.125 . . . . 0.0 110.985 -179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.984 0 N-CA-C 110.98 -0.848 . . . . 0.0 110.98 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.9 p -155.06 168.87 25.57 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.456 0.739 . . . . 0.0 110.05 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -81.58 172.34 13.57 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.518 1.136 . . . . 0.0 109.962 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -157.55 -64.58 0.01 OUTLIER Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.459 1.099 . . . . 0.0 111.014 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -45.96 168.03 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.483 0.755 . . . . 0.0 110.032 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 3.7 t -164.42 170.82 15.51 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.473 1.108 . . . . 0.0 110.077 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -134.73 98.85 0.31 Allowed Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.501 1.126 . . . . 0.0 111.035 179.956 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 -171.51 1.01 Allowed 'Trans proline' 0 C--N 1.359 1.13 0 O-C-N 124.526 1.803 . . . . 0.0 110.949 -179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.5 mt -71.45 135.33 28.2 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.526 1.142 . . . . 0.0 109.339 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 75.8 m -122.91 154.24 38.6 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.492 1.12 . . . . 0.0 110.423 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.487 ' OD2' ' CG2' ' A' ' 14' ' ' VAL . 4.5 p-10 -78.69 104.37 9.27 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.466 1.104 . . . . 0.0 109.286 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 pt-20 -80.07 53.62 1.76 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.532 1.145 . . . . 0.0 110.33 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.406 ' C ' ' CG2' ' A' ' 14' ' ' VAL . 3.2 ptt-85 -153.55 71.16 0.87 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.261 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' CG2' ' OD2' ' A' ' 11' ' ' ASP . 2.8 t -149.62 20.62 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.507 1.129 . . . . 0.0 109.307 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 11.1 m-85 -100.0 168.8 9.62 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.526 1.141 . . . . 0.0 110.999 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 3.7 tt0 -80.07 -145.32 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.517 1.135 . . . . 0.0 110.289 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 78.5 p -61.62 125.75 24.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 110.003 -179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 22.2 mm -82.95 -24.74 8.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.576 1.172 . . . . 0.0 109.275 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.451 ' O ' HG22 ' A' ' 26' ' ' VAL . . . 87.05 -77.03 2.01 Favored Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.491 1.12 . . . . 0.0 111.011 -179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 17.1 m-70 -71.73 70.21 0.69 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.477 0.751 . . . . 0.0 109.613 179.984 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.669 ' CD1' HG21 ' A' ' 26' ' ' VAL . 2.7 m-85 -64.59 82.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.523 1.139 . . . . 0.0 110.975 -179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 68.25 63.24 3.69 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.523 1.14 . . . . 0.0 111.011 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 75.54 -54.47 2.86 Favored Glycine 0 CA--C 1.53 0.998 0 N-CA-C 111.037 -0.825 . . . . 0.0 111.037 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -55.04 -170.38 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.505 0.767 . . . . 0.0 110.296 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.7 126.22 18.92 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 110.418 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.669 HG21 ' CD1' ' A' ' 21' ' ' TYR . 2.2 m -109.7 136.5 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.482 1.114 . . . . 0.0 109.289 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -97.98 114.27 26.36 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.506 1.129 . . . . 0.0 109.322 179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.626 HG23 HG22 ' A' ' 101' ' ' THR . 4.9 mp -87.66 146.05 6.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.503 1.127 . . . . 0.0 109.312 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.67 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -147.86 119.13 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 109.256 -179.938 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 38.0 mtt180 -99.09 115.81 29.88 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.445 1.09 . . . . 0.0 110.313 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.816 HG13 HD12 ' A' ' 66' ' ' LEU . 70.1 mt -113.9 134.05 57.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.502 1.126 . . . . 0.0 109.245 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 19.7 mt-10 -83.07 106.49 14.92 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.549 1.156 . . . . 0.0 110.301 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.542 ' HZ2' ' HB2' ' A' ' 39' ' ' LEU . 0.2 OUTLIER -108.23 159.32 16.71 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.489 1.118 . . . . 0.0 109.327 179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.55 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -110.69 169.87 8.47 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.51 1.132 . . . . 0.0 109.273 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.434 ' HG2' ' CG ' ' A' ' 97' ' ' HIS . 4.9 mtm180 -82.53 7.94 13.07 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.512 1.133 . . . . 0.0 110.301 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -147.37 21.63 1.19 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.471 1.107 . . . . 0.0 109.291 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.55 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -113.78 130.18 24.04 Favored Pre-proline 0 C--N 1.325 -0.467 0 O-C-N 124.493 1.121 . . . . 0.0 109.288 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 161.84 38.02 Favored 'Trans proline' 0 C--N 1.36 1.182 0 O-C-N 124.48 1.779 . . . . 0.0 111.036 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.542 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 27.1 tp -76.72 -57.83 3.63 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 109.3 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.455 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 73.37 39.61 50.71 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.485 1.116 . . . . 0.0 110.983 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.477 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.54 119.12 9.11 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.455 0.738 . . . . 0.0 109.29 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.422 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.6 m -85.67 147.78 26.2 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 110.408 179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.832 HG23 HG23 ' A' ' 86' ' ' VAL . 1.5 m -140.94 150.09 20.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.347 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.512 ' CG ' ' CB ' ' A' ' 53' ' ' SER . 36.7 mtp180 -104.85 152.19 22.91 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.449 1.093 . . . . 0.0 110.3 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 8.8 t-20 -96.29 110.07 22.45 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.473 1.108 . . . . 0.0 109.283 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.636 ' HB2' HD13 ' A' ' 51' ' ' ILE . 2.2 mm-40 -92.41 164.5 13.46 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.484 1.115 . . . . 0.0 110.338 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.591 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.0 mmt -20.15 -56.51 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.47 1.106 . . . . 0.0 111.02 179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.443 ' N ' ' O ' ' A' ' 46' ' ' GLU . 4.6 m-20 -155.07 23.29 0.43 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.549 1.156 . . . . 0.0 109.287 179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 64.7 m -132.88 153.76 51.03 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.509 1.13 . . . . 0.0 110.042 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.823 ' C ' HD12 ' A' ' 51' ' ' ILE . 3.3 t -104.04 112.75 38.79 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.532 1.145 . . . . 0.0 109.305 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.823 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.6 mp -115.52 134.23 59.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.292 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.519 HD13 HG12 ' A' ' 43' ' ' VAL . 22.1 mm -56.97 147.19 5.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 109.286 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.512 ' CB ' ' CG ' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -115.23 -52.31 2.68 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.516 1.135 . . . . 0.0 109.984 -179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.46 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.3 OUTLIER -149.12 163.82 36.46 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.499 1.124 . . . . 0.0 110.316 -179.99 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.46 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 37.3 mm -122.4 119.49 58.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.44 1.087 . . . . 0.0 109.319 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.455 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 10.7 t -86.55 151.99 3.55 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.435 1.085 . . . . 0.0 109.299 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -83.99 153.75 23.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 77.37 -0.36 69.14 Favored Glycine 0 CA--C 1.53 1.029 0 O-C-N 124.52 1.137 . . . . 0.0 110.958 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -89.9 148.12 19.68 Favored Glycine 0 CA--C 1.53 1.023 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.409 ' CB ' ' HG3' ' A' ' 33' ' ' LYS . . . -53.89 -27.97 33.65 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.513 0.772 . . . . 0.0 109.311 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.477 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -69.96 -57.29 5.2 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.471 1.107 . . . . 0.0 109.323 179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.445 ' HB2' HG22 ' A' ' 55' ' ' ILE . 6.0 tt0 -63.65 -50.06 70.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.278 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 16.2 mmtt -40.09 -65.26 0.42 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.474 1.109 . . . . 0.0 109.275 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.412 ' OG ' ' CD1' ' A' ' 31' ' ' ILE . 66.0 p -69.15 -34.97 75.82 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.522 1.139 . . . . 0.0 109.993 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 70.69 42.24 62.67 Favored Glycine 0 CA--C 1.529 0.939 0 O-C-N 124.492 1.12 . . . . 0.0 111.034 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.816 HD12 HG13 ' A' ' 31' ' ' ILE . 11.2 mt -100.52 -11.84 19.79 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.435 0.726 . . . . 0.0 109.291 180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.438 HD11 HD21 ' A' ' 104' ' ' LEU . 3.9 mm? -103.99 131.96 50.72 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.494 1.121 . . . . 0.0 109.294 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -133.4 135.55 44.72 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.48 1.112 . . . . 0.0 109.622 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.428 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 46.2 mt-10 -51.72 129.2 25.64 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.508 1.13 . . . . 0.0 110.277 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 105.47 -8.78 44.46 Favored Glycine 0 CA--C 1.53 0.994 0 O-C-N 124.45 1.094 . . . . 0.0 111.031 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.544 ' HB3' HD13 ' A' ' 104' ' ' LEU . 1.0 OUTLIER -73.14 131.56 42.19 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.463 0.743 . . . . 0.0 109.247 -179.957 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.55 ' HG2' HD21 ' A' ' 74' ' ' LEU . 33.0 tt0 -105.53 100.34 9.92 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.524 1.14 . . . . 0.0 110.32 -179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.478 ' CA ' ' HB3' ' A' ' 104' ' ' LEU . 1.7 p -77.69 128.16 38.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.519 1.137 . . . . 0.0 109.282 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.55 HD21 ' HG2' ' A' ' 72' ' ' GLU . 8.5 mt -114.53 -29.6 6.79 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.453 1.096 . . . . 0.0 109.336 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.4 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.5 tt0 -140.16 141.89 36.0 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.496 1.123 . . . . 0.0 110.346 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.917 HD12 HD11 ' A' ' 81' ' ' ILE . 10.4 mt -134.55 103.14 4.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.439 1.087 . . . . 0.0 109.257 -179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 70.42 10.58 7.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.477 1.11 . . . . 0.0 109.323 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.19 -25.82 8.56 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.479 1.112 . . . . 0.0 110.957 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.4 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 3.5 mp -77.57 128.11 38.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.507 0.769 . . . . 0.0 109.321 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.427 ' O ' ' NZ ' ' A' ' 84' ' ' LYS . 1.4 tt0 -64.57 168.96 5.32 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.504 1.128 . . . . 0.0 110.291 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.917 HD11 HD12 ' A' ' 76' ' ' ILE . 0.8 OUTLIER -135.68 -46.67 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.531 1.144 . . . . 0.0 109.311 179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.429 ' C ' ' O ' ' A' ' 81' ' ' ILE . 0.9 OUTLIER -36.51 121.62 0.73 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.485 1.116 . . . . 0.0 110.351 179.982 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . 98.53 -22.69 39.63 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.464 1.102 . . . . 0.0 111.002 -179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.427 ' NZ ' ' O ' ' A' ' 80' ' ' GLU . 1.7 mttp -67.04 156.45 36.04 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 0.763 . . . . 0.0 109.308 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 24.3 t0 -92.11 149.84 21.27 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.504 1.127 . . . . 0.0 109.301 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.845 HG22 ' CE2' ' A' ' 90' ' ' PHE . 3.7 p -51.21 -38.62 19.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.504 1.128 . . . . 0.0 109.338 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -68.44 -45.53 72.27 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.512 1.133 . . . . 0.0 109.3 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.51 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.3 OUTLIER -55.26 -56.27 21.86 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.564 1.165 . . . . 0.0 110.266 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.604 HG22 HD13 ' A' ' 81' ' ' ILE . 7.4 t -49.89 -53.64 9.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.488 1.118 . . . . 0.0 109.279 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.845 ' CE2' HG22 ' A' ' 86' ' ' VAL . 14.9 m-85 -52.44 -48.0 66.05 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.523 1.139 . . . . 0.0 110.984 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -65.13 -42.82 93.54 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.515 1.134 . . . . 0.0 109.321 179.994 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.51 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -50.86 -71.23 0.07 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.522 1.139 . . . . 0.0 109.325 179.983 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.816 HD21 HD13 ' A' ' 76' ' ' ILE . 81.3 mt -43.42 -53.48 5.38 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.134 . . . . 0.0 109.274 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.64 -59.29 0.95 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.514 1.134 . . . . 0.0 110.014 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -58.5 -39.5 80.24 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.502 1.126 . . . . 0.0 109.316 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.45 ' N ' ' O ' ' A' ' 93' ' ' LEU . 10.5 mtm -76.68 165.07 25.25 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.473 1.108 . . . . 0.0 111.042 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.434 ' CG ' ' HG2' ' A' ' 35' ' ' ARG . 1.0 OUTLIER -165.5 173.91 10.5 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.463 1.102 . . . . 0.0 109.573 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 80.13 -167.3 50.86 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.543 1.152 . . . . 0.0 111.002 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 16.8 m -65.83 101.02 0.6 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.486 0.757 . . . . 0.0 110.388 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -100.45 134.08 43.93 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.527 1.142 . . . . 0.0 109.279 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.626 HG22 HG23 ' A' ' 28' ' ' ILE . 44.2 m -93.15 100.91 13.21 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.516 1.135 . . . . 0.0 110.399 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.67 ' HB2' HG23 ' A' ' 29' ' ' VAL . 62.8 m-85 -84.88 123.91 31.02 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.499 1.124 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 61.7 t -107.95 94.37 3.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.533 1.145 . . . . 0.0 109.358 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.544 HD13 ' HB3' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -133.0 156.37 47.46 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.489 1.118 . . . . 0.0 109.32 -179.98 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.539 ' CG1' HG12 ' A' ' 26' ' ' VAL . 5.2 mt -104.01 126.44 31.73 Favored Pre-proline 0 C--N 1.325 -0.488 0 O-C-N 124.566 1.166 . . . . 0.0 109.25 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.98 111.56 3.36 Favored 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.511 1.795 . . . . 0.0 111.002 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 23.7 t -74.0 81.42 1.71 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 110.009 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.7 m -74.95 54.73 0.67 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.461 1.101 . . . . 0.0 110.002 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -108.48 101.41 1.56 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.488 1.117 . . . . 0.0 110.992 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -12.59 21.57 Favored 'Trans proline' 0 C--N 1.36 1.154 0 O-C-N 124.487 1.783 . . . . 0.0 111.015 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 60.6 p -51.68 117.31 2.6 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.497 1.123 . . . . 0.0 109.983 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -53.21 101.75 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.515 1.134 . . . . 0.0 110.008 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.987 0 O-C-N 124.455 1.097 . . . . 0.0 111.021 -179.98 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 N-CA-C 111.012 -0.835 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 66.49 122.07 0.02 OUTLIER 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.473 0.749 . . . . 0.0 110.031 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.0 p -179.74 153.45 0.54 Allowed 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.485 1.115 . . . . 0.0 110.002 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 124.3 140.3 5.51 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.518 1.136 . . . . 0.0 111.007 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 33.1 t -136.35 -64.55 0.6 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 0.764 . . . . 0.0 110.001 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.1 t -166.99 -70.34 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.456 1.098 . . . . 0.0 110.008 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 126.72 -76.11 0.4 Allowed Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.47 1.106 . . . . 0.0 110.987 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 100.56 1.37 Allowed 'Trans proline' 0 C--N 1.36 1.141 0 O-C-N 124.472 1.775 . . . . 0.0 111.007 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 9.1 mt -79.41 141.47 15.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.516 1.135 . . . . 0.0 109.331 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 2.2 p -70.12 -174.53 0.81 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.446 1.091 . . . . 0.0 110.387 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 169.11 125.12 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.544 1.153 . . . . 0.0 109.313 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.902 ' O ' HG23 ' A' ' 14' ' ' VAL . 8.5 tt0 -156.67 99.98 1.9 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.508 1.13 . . . . 0.0 110.335 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.476 ' CG ' ' C ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 51.8 21.56 1.45 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.492 1.12 . . . . 0.0 110.289 -179.966 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.902 HG23 ' O ' ' A' ' 12' ' ' GLU . 16.9 t -105.98 18.53 5.38 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.528 1.143 . . . . 0.0 109.326 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.6 m-85 -72.71 -171.78 0.89 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.514 1.134 . . . . 0.0 110.998 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.4 ' HG3' ' N ' ' A' ' 17' ' ' SER . 2.7 pt-20 -114.56 -149.38 0.45 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.534 1.147 . . . . 0.0 110.346 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . 0.4 ' N ' ' HG3' ' A' ' 16' ' ' GLU . 0.8 OUTLIER -62.4 109.58 1.4 Allowed 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.13 . . . . 0.0 109.985 -179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 2.6 mp -97.71 142.54 14.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 109.345 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -81.44 57.38 4.9 Favored Glycine 0 CA--C 1.529 0.965 0 O-C-N 124.419 1.075 . . . . 0.0 111.026 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -135.73 -70.71 0.47 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.46 0.741 . . . . 0.0 109.644 179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.867 ' CD1' HG21 ' A' ' 26' ' ' VAL . 32.7 m-85 50.36 94.27 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.491 1.119 . . . . 0.0 110.952 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 40.33 -133.2 2.56 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.452 1.095 . . . . 0.0 111.034 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -103.85 63.82 0.38 Allowed Glycine 0 CA--C 1.53 0.997 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.66 ' OE2' HG13 ' A' ' 26' ' ' VAL . 1.9 pt-20 -151.99 -175.27 5.16 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.519 0.776 . . . . 0.0 110.277 179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -131.29 121.85 25.44 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.505 1.128 . . . . 0.0 110.407 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.867 HG21 ' CD1' ' A' ' 21' ' ' TYR . 1.7 m -110.18 136.24 46.77 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.495 1.122 . . . . 0.0 109.266 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -106.63 111.96 24.74 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.472 1.108 . . . . 0.0 109.271 -179.972 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.844 HG12 HG22 ' A' ' 103' ' ' VAL . 86.6 mt -88.55 152.67 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.459 0 O-C-N 124.517 1.136 . . . . 0.0 109.269 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.474 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -149.3 118.63 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 109.293 179.99 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtm180 -89.58 104.5 17.05 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.511 1.132 . . . . 0.0 110.324 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.66 HG12 HD12 ' A' ' 66' ' ' LEU . 73.8 mt -99.45 138.06 25.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 109.307 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.9 mt-10 -91.71 107.0 18.9 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.498 1.124 . . . . 0.0 110.286 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.425 ' HB3' HD11 ' A' ' 100' ' ' LEU . 6.6 tttt -110.23 160.12 16.79 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.516 1.135 . . . . 0.0 109.282 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -118.82 169.83 9.52 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.514 1.134 . . . . 0.0 109.303 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 17.3 ttt-85 -82.9 10.54 7.61 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.441 1.088 . . . . 0.0 110.3 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p30 -148.96 25.13 0.93 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.472 1.107 . . . . 0.0 109.322 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -117.15 127.71 26.52 Favored Pre-proline 0 C--N 1.326 -0.437 0 O-C-N 124.462 1.101 . . . . 0.0 109.264 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 142.02 27.24 Favored 'Trans proline' 0 C--N 1.36 1.18 0 O-C-N 124.499 1.789 . . . . 0.0 110.948 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.407 ' HB2' ' HZ2' ' A' ' 33' ' ' LYS . 53.8 tp -56.42 -57.55 11.8 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.518 1.137 . . . . 0.0 109.298 179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.448 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 70.05 35.55 71.53 Favored Glycine 0 CA--C 1.53 1.008 0 O-C-N 124.548 1.155 . . . . 0.0 111.02 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.476 ' HB2' ' CB ' ' A' ' 61' ' ' ALA . . . -145.81 120.21 9.65 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.457 0.74 . . . . 0.0 109.341 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.418 ' HB ' ' OG ' ' A' ' 53' ' ' SER . 3.8 m -85.36 151.57 23.92 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.482 1.114 . . . . 0.0 110.391 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.71 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -140.43 149.67 21.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.568 1.168 . . . . 0.0 109.258 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 45.0 mtp180 -105.16 149.11 26.19 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.488 1.117 . . . . 0.0 110.309 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 9.3 t-20 -100.45 110.55 22.74 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.287 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.599 ' O ' ' C ' ' A' ' 47' ' ' MET . 42.2 mm-40 -97.41 165.16 12.14 Favored 'General case' 0 C--N 1.324 -0.513 0 O-C-N 124.538 1.149 . . . . 0.0 110.302 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.599 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.5 mmt -18.61 -58.3 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.456 1.097 . . . . 0.0 110.972 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.454 ' N ' ' O ' ' A' ' 46' ' ' GLU . 9.5 m-20 -155.97 25.51 0.37 Allowed 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.133 . . . . 0.0 109.315 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.41 ' O ' ' HB2' ' A' ' 46' ' ' GLU . 11.2 m -131.12 154.4 48.35 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.529 1.143 . . . . 0.0 110.012 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.866 ' O ' HD13 ' A' ' 51' ' ' ILE . 16.6 t -107.33 118.53 55.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.109 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.866 HD13 ' O ' ' A' ' 50' ' ' VAL . 7.3 mm -124.0 132.14 71.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.528 1.143 . . . . 0.0 109.312 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 18.0 mm -56.81 141.87 13.16 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.138 . . . . 0.0 109.336 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.495 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -107.31 -53.74 2.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.006 -179.969 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.7 ttt180 -149.32 163.42 37.74 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.488 1.118 . . . . 0.0 110.317 179.954 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.494 HG22 ' HB2' ' A' ' 62' ' ' GLU . 49.4 mm -124.04 119.33 56.52 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.483 1.114 . . . . 0.0 109.34 179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.448 ' N ' ' O ' ' A' ' 40' ' ' GLY . 11.0 t -85.01 147.72 5.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 109.311 179.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 7.8 ttpt -78.02 146.66 35.22 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.526 1.141 . . . . 0.0 109.303 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 83.09 -9.39 60.74 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.514 1.134 . . . . 0.0 110.988 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.439 ' C ' ' N ' ' A' ' 61' ' ' ALA . . . -79.29 133.75 12.9 Favored Glycine 0 CA--C 1.53 0.996 0 N-CA-C 110.935 -0.866 . . . . 0.0 110.935 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.403 ' C ' ' O ' ' A' ' 59' ' ' GLY . . . -39.78 -30.5 0.08 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.489 0.758 . . . . 0.0 109.292 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.476 ' CB ' ' HB2' ' A' ' 41' ' ' ALA . . . -65.85 -60.1 3.2 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.534 1.146 . . . . 0.0 109.274 -179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.494 ' HB2' HG22 ' A' ' 55' ' ' ILE . 4.8 tt0 -60.14 -55.58 32.17 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.526 1.141 . . . . 0.0 110.33 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 2.2 mtmp? -40.72 -62.79 0.74 Allowed 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.453 1.096 . . . . 0.0 109.337 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.411 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 81.8 p -64.99 -25.16 67.75 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.47 1.107 . . . . 0.0 110.01 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 57.39 37.81 83.54 Favored Glycine 0 CA--C 1.53 1.016 0 O-C-N 124.466 1.104 . . . . 0.0 110.997 -179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.66 HD12 HG12 ' A' ' 31' ' ' ILE . 9.6 mt -109.57 11.62 24.72 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.518 0.775 . . . . 0.0 109.27 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.42 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 18.7 mt -138.31 123.15 18.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 109.323 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -134.26 156.66 48.01 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.533 1.146 . . . . 0.0 109.599 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 50.5 mt-10 -61.68 130.09 44.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.472 1.107 . . . . 0.0 110.256 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 109.13 -13.03 34.08 Favored Glycine 0 CA--C 1.529 0.952 0 O-C-N 124.483 1.114 . . . . 0.0 111.041 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.58 ' CG ' HD13 ' A' ' 104' ' ' LEU . 1.6 m-20 -72.21 123.12 22.27 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.462 0.743 . . . . 0.0 109.33 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.749 ' HB2' HD12 ' A' ' 51' ' ' ILE . 43.8 tt0 -100.08 99.37 10.08 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.476 1.11 . . . . 0.0 110.335 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.813 HG13 HG21 ' A' ' 81' ' ' ILE . 2.2 p -77.87 132.7 32.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 O-C-N 124.541 1.15 . . . . 0.0 109.307 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.508 HD22 ' CZ ' ' A' ' 82' ' ' ARG . 0.6 OUTLIER -115.92 -33.36 5.13 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.237 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.416 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.9 mt-10 -140.51 145.75 37.25 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 110.307 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.696 HD12 HD11 ' A' ' 81' ' ' ILE . 9.8 mt -135.92 110.85 11.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.296 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.6 m-20 59.91 15.1 4.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.482 1.114 . . . . 0.0 109.29 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.18 -28.93 8.0 Favored Glycine 0 CA--C 1.531 1.046 0 O-C-N 124.476 1.11 . . . . 0.0 110.959 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.581 HG21 HD22 ' A' ' 92' ' ' LEU . 3.8 mp -69.86 134.05 30.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.502 0 O-C-N 124.505 0.768 . . . . 0.0 109.25 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.6 tt0 -65.85 167.4 9.55 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.452 1.095 . . . . 0.0 110.278 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.932 HD13 HG22 ' A' ' 89' ' ' VAL . 1.1 mm -137.03 -49.16 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.48 1.112 . . . . 0.0 109.317 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.508 ' CZ ' HD22 ' A' ' 74' ' ' LEU . 0.0 OUTLIER -38.29 114.56 0.37 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.476 1.11 . . . . 0.0 110.246 -179.987 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . 0.449 ' N ' ' O ' ' A' ' 48' ' ' ASP . . . 101.25 -43.34 1.74 Allowed Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.52 1.137 . . . . 0.0 111.009 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.459 ' N ' ' O ' ' A' ' 81' ' ' ILE . 15.6 mttm -42.28 130.18 3.77 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.437 0.728 . . . . 0.0 109.268 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.464 ' O ' ' N ' ' A' ' 88' ' ' GLU . 28.5 t70 -70.68 150.67 45.74 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.473 1.108 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.71 HG23 HG23 ' A' ' 43' ' ' VAL . 4.0 p -43.07 -37.03 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.538 1.149 . . . . 0.0 109.299 179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -71.3 -44.2 65.63 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.505 1.128 . . . . 0.0 109.326 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.575 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.1 OUTLIER -52.41 -55.79 19.4 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.474 1.109 . . . . 0.0 110.298 -179.985 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.932 HG22 HD13 ' A' ' 81' ' ' ILE . 2.9 t -54.38 -44.27 66.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.465 1.103 . . . . 0.0 109.284 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.607 ' CZ ' HG22 ' A' ' 86' ' ' VAL . 13.8 m-30 -63.59 -68.33 0.35 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.527 1.142 . . . . 0.0 110.964 179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -45.62 -25.77 0.51 Allowed 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 1.13 . . . . 0.0 109.286 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.581 HD22 HG21 ' A' ' 79' ' ' ILE . 0.7 OUTLIER -70.08 -70.92 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.509 1.131 . . . . 0.0 109.324 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.617 HD21 HD13 ' A' ' 76' ' ' ILE . 60.9 mt -45.83 -53.61 9.42 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.448 1.093 . . . . 0.0 109.273 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 47.0 t -39.06 -57.9 1.21 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -60.07 -38.78 83.87 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.524 1.14 . . . . 0.0 109.308 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.454 ' N ' ' O ' ' A' ' 93' ' ' LEU . 11.1 mtm -77.91 166.51 22.79 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.507 1.129 . . . . 0.0 110.995 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.1 p80 -168.57 164.11 12.4 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.513 1.133 . . . . 0.0 109.613 179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.67 -164.63 33.03 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.504 1.128 . . . . 0.0 111.001 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 17.3 m -66.28 99.26 0.52 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.486 0.756 . . . . 0.0 110.452 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.425 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.4 OUTLIER -99.77 137.77 37.77 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.484 1.115 . . . . 0.0 109.315 -179.961 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.787 HG23 ' CG2' ' A' ' 28' ' ' ILE . 0.9 OUTLIER -93.38 103.29 15.52 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.467 1.105 . . . . 0.0 110.375 -179.979 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.468 ' HB3' HD21 ' A' ' 104' ' ' LEU . 17.3 m-85 -87.13 116.77 25.43 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.466 1.104 . . . . 0.0 111.037 179.971 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.844 HG22 HG12 ' A' ' 28' ' ' ILE . 46.8 t -102.76 94.01 3.01 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.46 1.1 . . . . 0.0 109.284 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.58 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.1 OUTLIER -134.26 158.49 43.6 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.558 1.161 . . . . 0.0 109.319 179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.411 ' HA ' ' HD3' ' A' ' 106' ' ' PRO . 32.1 mt -104.3 125.62 33.74 Favored Pre-proline 0 C--N 1.325 -0.495 0 O-C-N 124.479 1.112 . . . . 0.0 109.297 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.3 Cg_endo -74.98 113.07 3.71 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.452 1.764 . . . . 0.0 110.994 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 29.4 t -84.82 82.59 8.37 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.514 1.134 . . . . 0.0 110.007 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -77.02 54.07 1.0 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.444 1.09 . . . . 0.0 110.04 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -64.63 -99.32 0.01 OUTLIER Glycine 0 CA--C 1.53 1.013 0 O-C-N 124.461 1.101 . . . . 0.0 111.024 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 171.19 18.81 Favored 'Trans proline' 0 C--N 1.36 1.147 0 O-C-N 124.516 1.798 . . . . 0.0 110.972 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 52.6 p -160.05 144.02 14.34 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.456 1.097 . . . . 0.0 110.033 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 3.5 m -112.29 145.24 40.33 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.505 1.128 . . . . 0.0 109.95 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.986 0 O-C-N 124.491 1.12 . . . . 0.0 111.02 179.965 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.028 0 N-CA-C 111.003 -0.839 . . . . 0.0 111.003 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.1 t -135.84 170.29 16.22 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.554 0.796 . . . . 0.0 109.982 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.6 t -159.77 159.4 32.69 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.559 1.162 . . . . 0.0 109.963 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -102.1 144.02 16.15 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.51 1.131 . . . . 0.0 111.044 179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 44.96 87.27 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.467 0.745 . . . . 0.0 109.952 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.6 t -179.62 -47.1 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.529 1.143 . . . . 0.0 110.031 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -41.83 149.23 0.35 Allowed Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.549 1.156 . . . . 0.0 110.975 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.03 101.61 1.49 Allowed 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.496 1.787 . . . . 0.0 110.991 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 3.3 mt -76.85 130.53 36.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.472 1.107 . . . . 0.0 109.278 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.401 ' O ' ' O ' ' A' ' 11' ' ' ASP . 80.9 m -116.74 1.54 12.79 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.515 1.134 . . . . 0.0 110.418 180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.401 ' O ' ' O ' ' A' ' 10' ' ' THR . 19.4 m-20 53.02 100.82 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.543 1.152 . . . . 0.0 109.283 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 4.4 tt0 -75.22 55.17 0.74 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.501 1.126 . . . . 0.0 110.328 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.471 ' C ' HG23 ' A' ' 14' ' ' VAL . 2.7 ptm180 -151.98 75.23 1.13 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.512 1.133 . . . . 0.0 110.339 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.622 HG12 ' O ' ' A' ' 14' ' ' VAL . 60.8 t -154.56 24.56 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.475 1.11 . . . . 0.0 109.298 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.535 ' CE1' HD11 ' A' ' 18' ' ' ILE . 0.2 OUTLIER -107.88 171.49 7.37 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.501 1.126 . . . . 0.0 110.985 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 tt0 -72.1 -143.82 0.01 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.489 1.118 . . . . 0.0 110.292 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 51.4 p -53.44 153.78 3.88 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 1.12 . . . . 0.0 110.007 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.535 HD11 ' CE1' ' A' ' 15' ' ' TYR . 11.7 mm -100.24 -31.81 3.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.48 1.113 . . . . 0.0 109.267 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . 91.8 -67.09 2.17 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.475 1.11 . . . . 0.0 111.034 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.459 ' O ' ' N ' ' A' ' 22' ' ' GLY . 27.6 p-80 -78.65 64.2 3.61 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.512 0.772 . . . . 0.0 109.619 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.2 m-30 -56.6 84.77 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.483 1.115 . . . . 0.0 111.005 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 20' ' ' HIS . . . 42.17 94.27 0.01 OUTLIER Glycine 0 CA--C 1.531 1.038 0 O-C-N 124.475 1.109 . . . . 0.0 110.973 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . 0.402 ' O ' ' CG ' ' A' ' 24' ' ' GLU . . . 38.22 71.43 0.23 Allowed Glycine 0 CA--C 1.53 0.974 0 N-CA-C 110.987 -0.845 . . . . 0.0 110.987 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.402 ' CG ' ' O ' ' A' ' 23' ' ' GLY . 0.6 OUTLIER 179.08 168.87 0.97 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.455 0.739 . . . . 0.0 110.341 -179.985 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -130.69 121.1 24.91 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.512 1.133 . . . . 0.0 110.424 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . . . . . . . . . 2.7 m -112.17 139.95 34.22 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.125 . . . . 0.0 109.277 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.9 tttt -98.97 108.8 21.57 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.453 1.096 . . . . 0.0 109.288 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.411 HG23 ' CG2' ' A' ' 101' ' ' THR . 4.3 mp -80.35 117.31 26.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.532 1.145 . . . . 0.0 109.292 179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.462 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -119.29 121.09 65.68 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.553 1.158 . . . . 0.0 109.292 -179.995 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.404 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 43.0 mtt180 -103.3 120.15 40.22 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.53 1.144 . . . . 0.0 110.27 -180.0 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.951 HG13 HD12 ' A' ' 66' ' ' LEU . 97.3 mt -117.47 143.35 28.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.503 1.127 . . . . 0.0 109.275 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 16.8 mt-10 -94.78 95.11 8.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.49 1.119 . . . . 0.0 110.3 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.616 ' HB3' HD11 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -101.21 105.18 16.27 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.499 1.125 . . . . 0.0 109.317 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.501 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -61.25 159.46 12.18 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.524 1.14 . . . . 0.0 109.325 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.57 ' HD2' ' CD2' ' A' ' 97' ' ' HIS . 27.1 ttt180 -70.5 -5.76 31.17 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.32 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 44.6 p-10 -126.49 10.29 7.26 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.519 1.137 . . . . 0.0 109.3 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.501 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 1.1 mm -104.24 129.05 25.82 Favored Pre-proline 0 C--N 1.325 -0.471 0 O-C-N 124.533 1.146 . . . . 0.0 109.269 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.0 162.56 36.93 Favored 'Trans proline' 0 C--N 1.36 1.14 0 O-C-N 124.489 1.783 . . . . 0.0 110.955 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.49 ' CD2' HD12 ' A' ' 93' ' ' LEU . 2.6 tp -79.74 -56.83 4.0 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.504 1.128 . . . . 0.0 109.289 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.453 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 65.4 39.49 95.82 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.482 1.114 . . . . 0.0 110.992 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.29 115.56 7.52 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.55 0.794 . . . . 0.0 109.268 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.7 m -85.75 153.92 21.97 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.49 1.119 . . . . 0.0 110.386 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 3.4 m -146.73 146.68 18.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.527 1.142 . . . . 0.0 109.295 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -101.31 171.61 7.49 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 110.283 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.46 107.24 17.3 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.508 1.13 . . . . 0.0 109.306 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.623 ' HB2' HD13 ' A' ' 51' ' ' ILE . 0.9 OUTLIER -88.24 164.75 15.47 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.507 1.13 . . . . 0.0 110.283 -179.988 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.605 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.9 mmm -18.2 -60.06 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.496 1.122 . . . . 0.0 110.995 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.42 ' N ' ' O ' ' A' ' 46' ' ' GLU . 1.5 m-20 -151.41 21.46 0.73 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.526 1.141 . . . . 0.0 109.316 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 75.1 m -132.77 153.87 50.8 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.496 1.123 . . . . 0.0 109.982 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.813 ' C ' HD12 ' A' ' 51' ' ' ILE . 3.4 t -105.85 113.08 41.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.501 0 O-C-N 124.523 1.14 . . . . 0.0 109.297 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.813 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.7 mp -114.67 153.07 16.23 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.282 179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 36.3 mm -64.73 143.52 15.67 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.532 1.145 . . . . 0.0 109.28 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.45 -42.31 3.16 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.549 1.155 . . . . 0.0 109.989 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.493 ' O ' HD13 ' A' ' 55' ' ' ILE . 5.7 ttt180 -157.56 161.44 38.75 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.292 -179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.493 HD13 ' O ' ' A' ' 54' ' ' ARG . 36.1 mm -123.74 117.58 51.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.541 1.151 . . . . 0.0 109.265 -179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.453 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 17.8 t -86.27 134.14 28.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.528 1.142 . . . . 0.0 109.287 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . 0.419 ' HE3' ' N ' ' A' ' 58' ' ' GLY . 0.0 OUTLIER -70.74 146.44 49.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.503 1.127 . . . . 0.0 109.333 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.419 ' N ' ' HE3' ' A' ' 57' ' ' LYS . . . 91.18 -6.78 81.27 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.462 1.101 . . . . 0.0 110.988 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -85.22 164.55 38.57 Favored Glycine 0 CA--C 1.53 0.985 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -65.59 -44.91 85.17 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.461 0.742 . . . . 0.0 109.307 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.702 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -48.45 -55.53 10.66 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.456 1.098 . . . . 0.0 109.305 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.404 ' O ' ' C ' ' A' ' 63' ' ' LYS . 5.3 tt0 -57.17 -62.37 1.81 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.478 1.111 . . . . 0.0 110.315 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.404 ' C ' ' O ' ' A' ' 62' ' ' GLU . 4.0 mttt -39.93 -68.11 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.495 1.122 . . . . 0.0 109.33 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -52.53 -53.88 40.16 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.531 1.144 . . . . 0.0 109.997 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.419 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 86.19 44.89 5.79 Favored Glycine 0 CA--C 1.53 0.969 0 O-C-N 124.483 1.115 . . . . 0.0 111.025 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.951 HD12 HG13 ' A' ' 31' ' ' ILE . 15.7 mt -112.06 -17.07 12.93 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.514 0.773 . . . . 0.0 109.303 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.702 ' HB2' ' HB1' ' A' ' 61' ' ' ALA . 3.2 mm? -103.42 122.6 45.21 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 28.0 m80 -133.72 135.77 44.21 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.463 1.102 . . . . 0.0 109.588 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 57.6 mt-10 -47.08 119.65 2.68 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.515 1.135 . . . . 0.0 110.328 179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 115.88 -13.04 17.42 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.472 1.108 . . . . 0.0 110.988 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 2.3 m-20 -71.82 133.12 45.3 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.478 0.752 . . . . 0.0 109.298 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.501 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 25.6 tt0 -101.75 124.3 47.16 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.514 1.133 . . . . 0.0 110.251 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.606 ' CG1' HG21 ' A' ' 81' ' ' ILE . 3.5 t -91.61 116.47 32.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.461 1.1 . . . . 0.0 109.305 179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.452 HD22 ' NE ' ' A' ' 82' ' ' ARG . 0.8 OUTLIER -99.38 -56.97 2.26 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.557 1.16 . . . . 0.0 109.308 179.981 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.7 mt-10 -137.09 151.85 49.35 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.502 1.127 . . . . 0.0 110.315 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.655 HD12 ' CD1' ' A' ' 81' ' ' ILE . 50.8 mt -137.92 109.01 5.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.426 1.079 . . . . 0.0 109.335 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.9 m-20 67.24 10.48 7.75 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.471 1.107 . . . . 0.0 109.294 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.05 -28.04 8.67 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.533 1.145 . . . . 0.0 110.987 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.5 mp -73.4 141.35 16.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.476 0.75 . . . . 0.0 109.301 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . 0.483 ' CB ' ' HE2' ' A' ' 84' ' ' LYS . 2.0 mt-10 -69.49 158.86 34.37 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.495 1.122 . . . . 0.0 110.344 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.655 ' CD1' HD12 ' A' ' 76' ' ' ILE . 4.5 mm -135.99 -43.68 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.302 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.464 ' O ' ' O ' ' A' ' 81' ' ' ILE . 2.4 mtt180 -35.12 -93.25 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.51 1.131 . . . . 0.0 110.313 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -42.23 -34.52 1.56 Allowed Glycine 0 CA--C 1.53 1.024 0 O-C-N 124.517 1.135 . . . . 0.0 110.979 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.483 ' HE2' ' CB ' ' A' ' 80' ' ' GLU . 15.1 mttm -57.48 133.48 55.25 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.51 0.771 . . . . 0.0 109.315 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.405 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 9.1 t70 -74.84 168.51 19.74 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.474 1.109 . . . . 0.0 109.286 -179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.461 HG23 ' N ' ' A' ' 87' ' ' ASN . 16.4 m -60.33 -48.59 87.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.463 1.102 . . . . 0.0 109.281 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.461 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -57.6 -47.86 81.0 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.436 1.085 . . . . 0.0 109.289 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.811 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.7 OUTLIER -57.16 -31.61 65.57 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.505 1.128 . . . . 0.0 110.318 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.509 HG22 HD13 ' A' ' 81' ' ' ILE . 19.7 t -77.97 -52.71 15.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.442 1.089 . . . . 0.0 109.27 -179.986 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -53.05 -32.47 47.09 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.516 1.135 . . . . 0.0 110.978 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -81.01 -35.18 32.26 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.441 1.088 . . . . 0.0 109.312 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.811 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.2 OUTLIER -61.07 -70.17 0.2 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.487 1.117 . . . . 0.0 109.305 179.994 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.49 HD12 ' CD2' ' A' ' 39' ' ' LEU . 84.6 mt -43.97 -49.55 8.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.481 1.113 . . . . 0.0 109.263 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -39.44 -57.97 1.33 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.486 1.116 . . . . 0.0 110.017 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.98 -36.46 83.59 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.491 1.119 . . . . 0.0 109.336 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.445 ' N ' ' O ' ' A' ' 93' ' ' LEU . 2.4 mtm -76.39 165.85 24.26 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.45 1.094 . . . . 0.0 110.96 179.99 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.57 ' CD2' ' HD2' ' A' ' 35' ' ' ARG . 0.3 OUTLIER -168.35 -178.63 3.65 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.567 -179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 70.4 -163.12 53.12 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.488 1.117 . . . . 0.0 111.02 -179.982 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 12.8 m -69.64 100.12 1.41 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.492 0.76 . . . . 0.0 110.397 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.616 HD11 ' HB3' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -96.21 132.8 41.27 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.543 1.152 . . . . 0.0 109.306 -180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.411 ' CG2' HG23 ' A' ' 28' ' ' ILE . 94.2 m -88.37 102.45 14.88 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.462 1.101 . . . . 0.0 110.391 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.58 ' CE1' ' HB2' ' A' ' 100' ' ' LEU . 67.0 m-85 -90.52 117.21 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.525 1.141 . . . . 0.0 110.976 -179.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 8.1 t -101.62 94.21 3.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.549 1.155 . . . . 0.0 109.315 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.501 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -134.46 171.49 14.22 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.486 1.116 . . . . 0.0 109.279 -179.998 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 4.0 mt -122.16 125.99 26.42 Favored Pre-proline 0 C--N 1.325 -0.477 0 O-C-N 124.492 1.12 . . . . 0.0 109.333 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.444 ' O ' ' N ' ' A' ' 108' ' ' SER . 18.3 Cg_endo -75.0 114.9 4.13 Favored 'Trans proline' 0 C--N 1.361 1.193 0 O-C-N 124.448 1.762 . . . . 0.0 110.989 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.409 ' C ' ' N ' ' A' ' 109' ' ' GLY . 2.9 t -69.03 64.12 0.13 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.491 1.119 . . . . 0.0 110.037 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.444 ' N ' ' O ' ' A' ' 106' ' ' PRO . 0.5 OUTLIER 41.22 28.67 0.07 Allowed 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.48 1.112 . . . . 0.0 110.017 -179.959 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.409 ' N ' ' C ' ' A' ' 107' ' ' SER . . . 57.76 177.39 0.6 Allowed Glycine 0 CA--C 1.53 0.987 0 O-C-N 124.528 1.143 . . . . 0.0 111.0 -179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 68.83 5.69 Favored 'Trans proline' 0 C--N 1.361 1.187 0 O-C-N 124.472 1.775 . . . . 0.0 110.987 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 m -39.83 125.84 1.92 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.503 1.127 . . . . 0.0 109.966 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 7.1 m -84.75 99.39 10.82 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.463 1.102 . . . . 0.0 109.964 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.008 0 O-C-N 124.509 1.13 . . . . 0.0 110.956 -179.99 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.015 0 N-CA-C 111.007 -0.837 . . . . 0.0 111.007 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -125.21 123.76 40.28 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 0.786 . . . . 0.0 110.012 179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 4.9 t 66.69 163.42 0.18 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.459 1.1 . . . . 0.0 109.993 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -131.24 -159.77 9.65 Favored Glycine 0 CA--C 1.53 0.999 0 O-C-N 124.485 1.115 . . . . 0.0 110.964 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -177.58 153.27 0.87 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.499 0.764 . . . . 0.0 109.984 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 13.9 t -118.02 108.76 15.64 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.55 1.156 . . . . 0.0 109.988 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -64.43 120.28 18.72 Favored Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.528 1.143 . . . . 0.0 110.963 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 97.87 1.11 Allowed 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.444 1.76 . . . . 0.0 111.019 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 27.5 mt -77.54 148.21 6.73 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.527 1.142 . . . . 0.0 109.298 -179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 53.3 m -117.68 159.21 23.34 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.51 1.131 . . . . 0.0 110.42 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -142.05 94.47 2.67 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.506 1.129 . . . . 0.0 109.331 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -96.05 52.3 1.29 Allowed 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.453 1.096 . . . . 0.0 110.331 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.551 ' O ' HG23 ' A' ' 14' ' ' VAL . 1.7 mtp85 -147.15 79.69 1.51 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.444 1.09 . . . . 0.0 110.311 -179.922 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.72 HG12 ' O ' ' A' ' 14' ' ' VAL . 70.7 t -158.28 23.78 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.543 1.152 . . . . 0.0 109.287 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.443 ' CD1' ' N ' ' A' ' 15' ' ' TYR . 0.3 OUTLIER -123.97 163.01 22.23 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.539 1.149 . . . . 0.0 111.013 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -92.85 -147.31 0.23 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.472 1.108 . . . . 0.0 110.29 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 22.6 p -57.23 121.34 9.88 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.48 1.113 . . . . 0.0 109.986 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . . . . . . . . . 3.1 mt -107.61 147.48 12.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.095 . . . . 0.0 109.288 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -74.05 59.63 2.24 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.515 1.134 . . . . 0.0 111.014 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 20.2 t-160 -174.51 57.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.471 0.748 . . . . 0.0 109.596 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.703 ' CD1' HG21 ' A' ' 26' ' ' VAL . 3.4 m-85 -68.14 83.06 0.23 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.454 1.096 . . . . 0.0 111.001 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 88.66 -109.75 3.58 Favored Glycine 0 CA--C 1.529 0.96 0 O-C-N 124.482 1.114 . . . . 0.0 110.999 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -109.3 -31.31 3.31 Favored Glycine 0 CA--C 1.529 0.962 0 N-CA-C 111.011 -0.836 . . . . 0.0 111.011 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.73 -169.69 0.47 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.458 0.74 . . . . 0.0 110.253 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -135.5 121.78 20.36 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.481 1.113 . . . . 0.0 110.333 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.703 HG21 ' CD1' ' A' ' 21' ' ' TYR . 12.6 m -105.23 139.48 26.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.489 1.118 . . . . 0.0 109.236 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.4 tttt -107.25 114.86 29.17 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.674 HD12 ' N ' ' A' ' 28' ' ' ILE . 3.6 mp -83.46 153.5 3.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 109.302 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.494 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -153.62 117.77 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.36 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.4 mtm180 -92.22 125.54 36.94 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.449 1.093 . . . . 0.0 110.276 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.756 HG13 HD12 ' A' ' 66' ' ' LEU . 73.3 mt -121.06 134.87 63.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 5.7 mt-10 -90.82 113.98 26.27 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.457 1.098 . . . . 0.0 110.262 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.559 ' HZ2' HD13 ' A' ' 39' ' ' LEU . 3.3 mtpt -120.65 131.16 54.44 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.516 1.135 . . . . 0.0 109.276 -179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.411 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -74.76 171.52 13.79 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.476 1.11 . . . . 0.0 109.258 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 26.5 mtm180 -80.57 9.97 5.38 Favored 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.525 1.141 . . . . 0.0 110.279 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -153.69 29.5 0.47 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.282 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.411 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -117.42 129.07 25.59 Favored Pre-proline 0 C--N 1.325 -0.481 0 O-C-N 124.506 1.129 . . . . 0.0 109.317 179.982 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.96 166.47 29.16 Favored 'Trans proline' 0 C--N 1.36 1.156 0 O-C-N 124.445 1.761 . . . . 0.0 110.992 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.559 HD13 ' HZ2' ' A' ' 33' ' ' LYS . 37.7 tp -81.99 -46.49 13.9 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.484 1.115 . . . . 0.0 109.313 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.47 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 63.99 40.01 97.82 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.505 1.128 . . . . 0.0 110.963 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.26 120.29 10.05 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.428 0.722 . . . . 0.0 109.279 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.43 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.3 m -86.0 147.22 26.31 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.482 1.114 . . . . 0.0 110.392 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.907 HG12 HD13 ' A' ' 52' ' ' ILE . 27.5 m -136.56 153.38 30.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.452 0 O-C-N 124.477 1.111 . . . . 0.0 109.24 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.47 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 55.8 mtp180 -101.68 173.35 6.46 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.468 1.105 . . . . 0.0 110.254 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.835 ' OD1' HG13 ' A' ' 86' ' ' VAL . 0.1 OUTLIER -117.31 98.91 6.68 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.508 1.13 . . . . 0.0 109.309 -179.999 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.582 ' O ' ' C ' ' A' ' 47' ' ' MET . 4.4 mm-40 -84.94 165.07 17.93 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.546 1.154 . . . . 0.0 110.302 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.582 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mmt -20.67 -58.5 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.521 1.138 . . . . 0.0 110.977 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -153.87 23.98 0.51 Allowed 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 58.7 m -130.51 154.36 47.86 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.453 1.096 . . . . 0.0 110.036 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.64 ' C ' HD12 ' A' ' 51' ' ' ILE . 20.6 t -106.47 113.25 42.62 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.557 1.161 . . . . 0.0 109.275 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.64 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.0 mp -116.44 145.72 21.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.464 1.102 . . . . 0.0 109.281 179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.907 HD13 HG12 ' A' ' 43' ' ' VAL . 26.3 mm -64.27 143.09 16.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.47 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 1.0 OUTLIER -112.61 -48.5 3.0 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.528 1.143 . . . . 0.0 110.002 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 3.4 ttt180 -151.51 163.17 39.61 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.502 1.126 . . . . 0.0 110.279 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 41.3 mm -121.78 118.59 56.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.484 1.115 . . . . 0.0 109.254 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.47 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 11.5 t -82.95 140.72 15.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 O-C-N 124.563 1.164 . . . . 0.0 109.295 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -78.73 128.59 33.64 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.488 1.118 . . . . 0.0 109.27 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 107.97 -14.72 37.39 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.512 1.132 . . . . 0.0 110.997 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -71.27 165.26 53.47 Favored Glycine 0 CA--C 1.531 1.044 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.466 ' CB ' ' HG3' ' A' ' 33' ' ' LYS . . . -73.38 -28.29 61.94 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.523 0.779 . . . . 0.0 109.317 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.406 ' O ' ' N ' ' A' ' 65' ' ' GLY . . . -67.05 -46.42 74.43 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.489 1.118 . . . . 0.0 109.296 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.447 ' O ' ' N ' ' A' ' 65' ' ' GLY . 5.0 tt0 -58.61 -68.29 0.28 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.422 1.076 . . . . 0.0 110.311 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 1.1 mttp -39.8 -56.45 1.75 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.493 1.121 . . . . 0.0 109.315 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.405 ' CB ' ' HG ' ' A' ' 66' ' ' LEU . 32.6 p -60.37 -38.91 85.4 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.467 1.104 . . . . 0.0 109.987 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.447 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 63.51 39.24 97.45 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.502 1.126 . . . . 0.0 110.989 -179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.756 HD12 HG13 ' A' ' 31' ' ' ILE . 11.7 mt -102.04 -16.41 16.45 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.508 0.77 . . . . 0.0 109.319 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.599 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.4 mm? -104.45 130.39 52.37 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.499 1.124 . . . . 0.0 109.299 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -133.53 134.45 43.41 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.521 1.138 . . . . 0.0 109.626 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -47.02 115.03 0.96 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.464 1.102 . . . . 0.0 110.311 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 116.86 -6.15 18.01 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.464 1.102 . . . . 0.0 111.034 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -76.68 121.7 23.63 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.546 0.792 . . . . 0.0 109.307 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.511 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 57.2 tt0 -94.28 126.43 39.52 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.498 1.124 . . . . 0.0 110.276 -179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.608 ' CG1' HG12 ' A' ' 50' ' ' VAL . 0.2 OUTLIER -103.05 138.02 28.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.5 0 O-C-N 124.493 1.121 . . . . 0.0 109.283 179.99 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 1.8 mt -121.44 -42.35 2.45 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.506 1.129 . . . . 0.0 109.308 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.422 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 1.4 mt-10 -134.97 143.29 46.77 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.465 1.103 . . . . 0.0 110.316 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.709 HD12 HD11 ' A' ' 81' ' ' ILE . 5.2 mt -133.74 103.98 5.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.516 1.135 . . . . 0.0 109.27 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.5 m-20 69.24 8.49 6.83 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.455 1.097 . . . . 0.0 109.272 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.9 -24.37 8.94 Favored Glycine 0 CA--C 1.531 1.047 0 O-C-N 124.471 1.107 . . . . 0.0 111.019 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.574 HG21 ' CD1' ' A' ' 92' ' ' LEU . 3.1 mp -70.42 128.57 33.88 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.523 0.778 . . . . 0.0 109.248 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -77.06 117.29 18.48 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.524 1.14 . . . . 0.0 110.316 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.709 HD11 HD12 ' A' ' 76' ' ' ILE . 1.0 OUTLIER -90.14 -26.34 5.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.47 1.106 . . . . 0.0 109.263 -179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -45.9 105.01 0.05 Allowed 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.51 1.131 . . . . 0.0 110.27 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 109.06 -29.51 9.63 Favored Glycine 0 CA--C 1.53 0.978 0 O-C-N 124.491 1.119 . . . . 0.0 110.986 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.464 ' N ' ' O ' ' A' ' 81' ' ' ILE . 1.2 mttp -56.2 138.13 50.66 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.534 0.784 . . . . 0.0 109.285 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -78.96 170.51 16.58 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.57 1.168 . . . . 0.0 109.311 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.835 HG13 ' OD1' ' A' ' 45' ' ' ASN . 27.6 m -59.92 -48.82 86.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.504 1.127 . . . . 0.0 109.308 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.444 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.4 OUTLIER -62.79 -45.19 93.81 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.466 1.104 . . . . 0.0 109.285 179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.418 ' O ' HD23 ' A' ' 92' ' ' LEU . 0.6 OUTLIER -52.17 -51.82 55.73 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 110.279 -179.992 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.488 HG22 HG23 ' A' ' 81' ' ' ILE . 16.0 t -58.19 -63.62 0.66 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.473 1.108 . . . . 0.0 109.271 -179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.457 ' CD2' ' O ' ' A' ' 86' ' ' VAL . 17.5 m-85 -42.18 -34.9 0.82 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.518 1.136 . . . . 0.0 111.01 -179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -72.96 -49.8 27.15 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.451 1.094 . . . . 0.0 109.293 179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.574 ' CD1' HG21 ' A' ' 79' ' ' ILE . 0.2 OUTLIER -43.54 -71.37 0.08 Allowed 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.515 1.135 . . . . 0.0 109.262 -179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.423 ' O ' ' N ' ' A' ' 96' ' ' MET . 85.2 mt -44.35 -51.32 8.61 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.483 1.114 . . . . 0.0 109.309 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -42.09 -46.0 4.13 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.491 1.12 . . . . 0.0 109.981 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 1.2 t0 -73.59 -37.32 65.51 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.52 1.137 . . . . 0.0 109.315 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.423 ' N ' ' O ' ' A' ' 93' ' ' LEU . 13.7 mtm -79.2 170.74 16.18 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.442 1.089 . . . . 0.0 110.947 -179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -173.71 151.3 1.84 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.511 1.132 . . . . 0.0 109.613 -179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.45 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 101.01 -166.95 19.28 Favored Glycine 0 CA--C 1.531 1.054 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 3.1 m -66.27 97.88 0.43 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.532 0.783 . . . . 0.0 110.384 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.419 HD11 ' HB2' ' A' ' 33' ' ' LYS . 0.5 OUTLIER -96.12 136.99 35.84 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.547 1.155 . . . . 0.0 109.259 -179.991 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.564 HG22 HG23 ' A' ' 28' ' ' ILE . 31.8 m -94.23 103.23 15.26 Favored 'General case' 0 C--N 1.326 -0.432 0 O-C-N 124.468 1.105 . . . . 0.0 110.38 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.494 ' HB2' HG23 ' A' ' 29' ' ' VAL . 24.6 m-85 -85.31 116.4 23.62 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.511 1.132 . . . . 0.0 111.015 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.555 HG11 ' CZ ' ' A' ' 21' ' ' TYR . 17.3 t -100.43 93.28 2.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.481 1.113 . . . . 0.0 109.305 -179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.511 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.2 OUTLIER -136.88 168.61 19.23 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.483 1.114 . . . . 0.0 109.324 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.478 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.2 mt -116.62 131.29 23.96 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.572 1.17 . . . . 0.0 109.292 -179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.96 117.0 4.76 Favored 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.499 1.789 . . . . 0.0 111.041 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.501 ' O ' ' CB ' ' A' ' 108' ' ' SER . 29.6 t -82.92 69.29 9.69 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.528 1.143 . . . . 0.0 109.989 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.501 ' CB ' ' O ' ' A' ' 107' ' ' SER . 1.5 t 85.61 -12.95 0.64 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.496 1.123 . . . . 0.0 110.033 -179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 99.05 -118.71 6.26 Favored Glycine 0 CA--C 1.529 0.955 0 O-C-N 124.532 1.145 . . . . 0.0 111.026 -179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.0 -36.19 2.69 Favored 'Trans proline' 0 C--N 1.361 1.2 0 O-C-N 124.468 1.773 . . . . 0.0 110.986 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 49.1 p -174.29 168.45 3.97 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.472 1.108 . . . . 0.0 110.008 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 52.6 m -74.21 123.31 24.27 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.442 1.089 . . . . 0.0 109.995 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.019 0 O-C-N 124.512 1.132 . . . . 0.0 110.965 -179.993 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.936 0 N-CA-C 111.014 -0.834 . . . . 0.0 111.014 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 56.7 p -105.79 107.98 19.25 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.478 0.752 . . . . 0.0 109.978 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.8 m -151.18 151.17 31.53 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.505 1.128 . . . . 0.0 110.006 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.37 100.85 0.16 Allowed Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.562 1.164 . . . . 0.0 110.964 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 63.76 119.95 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.537 0.786 . . . . 0.0 110.044 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.6 t -158.82 116.3 2.82 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.567 1.167 . . . . 0.0 110.014 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 110.63 87.35 1.78 Allowed Glycine 0 CA--C 1.53 1.01 0 O-C-N 124.488 1.117 . . . . 0.0 111.006 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.06 68.37 5.82 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.501 1.79 . . . . 0.0 110.965 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 2.8 mp -84.08 150.79 4.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 O-C-N 124.465 1.103 . . . . 0.0 109.272 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 6.9 m -94.63 157.01 16.16 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.468 1.105 . . . . 0.0 110.365 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -151.95 92.74 1.76 Allowed 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.513 1.133 . . . . 0.0 109.279 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -78.79 59.51 2.57 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.486 1.116 . . . . 0.0 110.246 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.591 ' HD2' HG13 ' A' ' 14' ' ' VAL . 0.0 OUTLIER -133.95 6.96 3.7 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.496 1.122 . . . . 0.0 110.295 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.676 ' O ' HG23 ' A' ' 14' ' ' VAL . 22.4 m -111.81 87.53 1.0 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.502 1.126 . . . . 0.0 109.304 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 6.1 m-85 -107.63 172.84 6.6 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.502 1.127 . . . . 0.0 111.028 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -98.31 -148.21 0.33 Allowed 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.527 1.142 . . . . 0.0 110.314 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.4 p -64.12 114.66 4.33 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.446 1.091 . . . . 0.0 110.002 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.475 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 2.8 mp -95.31 140.6 16.6 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.452 1.095 . . . . 0.0 109.32 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.76 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -52.13 -78.4 0.11 Allowed Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.456 1.098 . . . . 0.0 111.042 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.476 ' CG ' ' O ' ' A' ' 20' ' ' HIS . 1.8 p80 -58.19 100.77 0.06 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.526 0.78 . . . . 0.0 109.592 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.475 ' CE1' ' O ' ' A' ' 18' ' ' ILE . 1.3 m-30 -87.07 74.31 9.68 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.537 1.148 . . . . 0.0 111.035 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 92.57 -64.32 2.19 Favored Glycine 0 CA--C 1.53 0.983 0 O-C-N 124.538 1.149 . . . . 0.0 110.983 -179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -142.18 -47.97 0.05 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.958 -0.857 . . . . 0.0 110.958 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.77 -166.4 0.11 Allowed 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.475 0.75 . . . . 0.0 110.278 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.79 123.94 21.7 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.511 1.132 . . . . 0.0 110.373 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.76 HG22 ' O ' ' A' ' 19' ' ' GLY . 12.9 m -105.37 140.82 22.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.15 . . . . 0.0 109.317 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 1.3 tttt -97.33 119.41 35.81 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.49 1.119 . . . . 0.0 109.339 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.596 HG23 HG23 ' A' ' 101' ' ' THR . 4.6 mp -93.56 130.87 41.94 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 O-C-N 124.528 1.142 . . . . 0.0 109.295 -179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.626 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -137.83 117.78 15.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.299 -179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 1.3 mtm180 -92.16 109.29 20.65 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.548 1.155 . . . . 0.0 110.242 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.425 ' HB ' ' CE1' ' A' ' 102' ' ' PHE . 53.0 mt -102.59 135.18 41.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.504 1.127 . . . . 0.0 109.369 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 14.4 mt-10 -93.23 117.75 30.44 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 110.31 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.42 ' O ' ' N ' ' A' ' 98' ' ' GLY . 34.2 mtpt -123.93 132.09 53.67 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.495 1.122 . . . . 0.0 109.276 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.639 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -73.89 171.45 13.38 Favored 'General case' 0 C--N 1.324 -0.509 0 O-C-N 124.578 1.174 . . . . 0.0 109.329 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.491 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 2.7 ttt180 -81.48 38.54 0.5 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.506 1.129 . . . . 0.0 110.274 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 171.23 40.23 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.527 1.142 . . . . 0.0 109.302 179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.639 HG13 ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -122.26 129.42 25.1 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.478 1.111 . . . . 0.0 109.32 -179.999 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.97 142.46 27.98 Favored 'Trans proline' 0 C--N 1.36 1.163 0 O-C-N 124.5 1.789 . . . . 0.0 111.015 -179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.506 HD22 HD12 ' A' ' 93' ' ' LEU . 24.9 tp -59.63 -44.35 93.51 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 109.284 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.438 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 63.95 33.77 88.14 Favored Glycine 0 CA--C 1.53 1.027 0 O-C-N 124.477 1.111 . . . . 0.0 111.003 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.437 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.62 120.3 9.83 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.507 0.769 . . . . 0.0 109.335 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.462 ' N ' ' O ' ' A' ' 54' ' ' ARG . 2.1 m -85.59 150.08 24.9 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.536 1.147 . . . . 0.0 110.395 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.756 HG12 HD13 ' A' ' 52' ' ' ILE . 3.8 m -148.46 138.96 16.95 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 O-C-N 124.515 1.134 . . . . 0.0 109.326 -179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.41 ' N ' ' O ' ' A' ' 51' ' ' ILE . 0.0 OUTLIER -104.39 149.41 25.42 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.503 1.127 . . . . 0.0 110.287 -179.979 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.411 ' OD1' ' O ' ' A' ' 84' ' ' LYS . 4.5 t-20 -95.15 105.19 17.1 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.52 1.138 . . . . 0.0 109.332 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.643 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.7 mm-40 -80.98 169.21 17.81 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.457 1.098 . . . . 0.0 110.288 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.643 ' C ' ' O ' ' A' ' 46' ' ' GLU . 2.2 mmt -11.54 -65.94 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.464 1.102 . . . . 0.0 110.969 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.475 ' N ' ' O ' ' A' ' 46' ' ' GLU . 3.5 m-20 -145.82 18.99 1.46 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.461 1.101 . . . . 0.0 109.324 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 46' ' ' GLU . 48.8 m -133.91 136.84 44.55 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.496 1.122 . . . . 0.0 109.976 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.826 HG13 ' HB ' ' A' ' 73' ' ' VAL . 1.9 p -93.11 110.39 23.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.487 1.117 . . . . 0.0 109.294 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.763 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.5 mp -110.29 150.25 12.9 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.498 1.124 . . . . 0.0 109.344 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.756 HD13 HG12 ' A' ' 43' ' ' VAL . 28.3 mm -60.03 148.3 8.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.509 1.131 . . . . 0.0 109.266 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.06 -46.84 2.8 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.519 1.137 . . . . 0.0 109.968 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.462 ' O ' ' N ' ' A' ' 42' ' ' THR . 2.4 ttt180 -155.29 161.71 41.05 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.528 1.142 . . . . 0.0 110.287 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.449 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 47.1 mm -123.47 120.34 59.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.557 1.161 . . . . 0.0 109.315 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.438 ' N ' ' O ' ' A' ' 40' ' ' GLY . 13.8 t -88.17 142.9 12.29 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.482 1.114 . . . . 0.0 109.31 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 2.2 ttpm? -75.58 149.25 38.34 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.462 1.101 . . . . 0.0 109.256 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 78.43 -1.85 69.53 Favored Glycine 0 CA--C 1.531 1.041 0 O-C-N 124.551 1.157 . . . . 0.0 110.98 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -79.42 152.77 36.3 Favored Glycine 0 CA--C 1.53 0.987 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -59.53 -34.37 72.56 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.458 0.74 . . . . 0.0 109.293 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.437 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -61.82 -60.17 4.05 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.477 1.111 . . . . 0.0 109.262 179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 7.0 tt0 -53.18 -57.65 9.74 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.541 1.151 . . . . 0.0 110.319 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.8 mttt -40.82 -68.81 0.16 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.506 1.129 . . . . 0.0 109.277 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 88.0 p -53.85 -31.62 50.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.515 1.134 . . . . 0.0 109.996 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 61.2 43.12 99.8 Favored Glycine 0 CA--C 1.529 0.946 0 O-C-N 124.49 1.119 . . . . 0.0 110.989 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.469 ' HB3' ' CG1' ' A' ' 29' ' ' VAL . 14.3 mt -115.97 9.31 14.86 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.477 0.751 . . . . 0.0 109.258 -180.0 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . . . . . . . . . 15.8 mt -136.07 125.81 25.56 Favored 'General case' 0 C--N 1.324 -0.522 0 O-C-N 124.526 1.141 . . . . 0.0 109.312 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . 0.463 ' CD2' ' C ' ' A' ' 68' ' ' HIS . 0.0 OUTLIER -133.21 154.29 50.78 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.541 1.151 . . . . 0.0 109.582 -179.994 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.4 mt-10 -61.91 126.92 29.03 Favored 'General case' 0 C--N 1.324 -0.512 0 O-C-N 124.515 1.134 . . . . 0.0 110.26 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 108.71 -3.97 32.37 Favored Glycine 0 CA--C 1.53 1.0 0 O-C-N 124.527 1.142 . . . . 0.0 110.995 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.41 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -80.82 131.3 35.38 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.483 0.754 . . . . 0.0 109.309 179.93 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 27.3 tt0 -96.82 130.38 44.09 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.509 1.131 . . . . 0.0 110.27 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.826 ' HB ' HG13 ' A' ' 50' ' ' VAL . 35.0 t -101.3 140.04 21.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.496 1.123 . . . . 0.0 109.29 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.465 HD21 ' HG2' ' A' ' 72' ' ' GLU . 0.4 OUTLIER -128.31 -45.66 1.36 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.487 1.117 . . . . 0.0 109.302 -179.997 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -134.92 141.24 46.25 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.529 1.143 . . . . 0.0 110.305 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.961 HG21 HD21 ' A' ' 93' ' ' LEU . 39.6 mt -128.97 107.62 15.87 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.482 1.114 . . . . 0.0 109.326 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.608 ' ND2' HD23 ' A' ' 100' ' ' LEU . 1.3 t-20 69.77 8.3 6.65 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.493 1.121 . . . . 0.0 109.291 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 114.09 -24.56 11.55 Favored Glycine 0 CA--C 1.53 0.979 0 O-C-N 124.558 1.162 . . . . 0.0 110.994 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . . . . . . . . . 3.2 mp -71.65 126.66 32.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.513 0.772 . . . . 0.0 109.305 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -71.06 140.94 50.88 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.473 1.108 . . . . 0.0 110.328 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.844 HD13 HG22 ' A' ' 89' ' ' VAL . 1.1 mt -118.37 -39.33 2.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.494 1.121 . . . . 0.0 109.316 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.474 ' C ' ' O ' ' A' ' 81' ' ' ILE . 0.0 OUTLIER -31.47 110.08 0.07 Allowed 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.504 1.128 . . . . 0.0 110.278 179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 96.12 16.87 36.57 Favored Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.461 1.1 . . . . 0.0 111.017 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.536 ' HB2' HG23 ' A' ' 81' ' ' ILE . 21.7 mttm -98.09 -170.31 1.95 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.519 0.776 . . . . 0.0 109.311 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -127.64 150.91 49.53 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.538 1.149 . . . . 0.0 109.257 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.564 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 15.8 m -46.8 -53.42 3.07 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.513 1.133 . . . . 0.0 109.293 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.451 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -54.25 -47.84 71.81 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.506 1.128 . . . . 0.0 109.275 180.0 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.67 ' O ' HD12 ' A' ' 92' ' ' LEU . 1.2 mt-10 -58.98 -47.24 85.89 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.454 1.096 . . . . 0.0 110.355 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.844 HG22 HD13 ' A' ' 81' ' ' ILE . 72.8 t -60.78 -45.63 97.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.53 1.144 . . . . 0.0 109.274 179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.564 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 20.7 m-85 -63.34 -62.54 1.62 Allowed 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.533 1.146 . . . . 0.0 110.971 -179.964 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -49.46 -29.08 6.04 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.484 1.115 . . . . 0.0 109.276 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.67 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -63.03 -70.13 0.23 Allowed 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.46 1.1 . . . . 0.0 109.342 179.977 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.961 HD21 HG21 ' A' ' 76' ' ' ILE . 75.4 mt -48.14 -48.46 34.18 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.531 1.145 . . . . 0.0 109.303 179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.25 -57.16 1.4 Allowed 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.482 1.114 . . . . 0.0 109.957 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -61.6 -38.14 86.49 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.478 1.111 . . . . 0.0 109.325 -179.986 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.633 ' HE3' HD23 ' A' ' 93' ' ' LEU . 15.2 mtm -76.27 163.8 26.68 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.489 1.118 . . . . 0.0 111.009 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.491 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 0.1 OUTLIER -166.51 153.74 9.48 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.516 1.135 . . . . 0.0 109.597 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.42 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 96.69 -167.0 24.14 Favored Glycine 0 CA--C 1.529 0.957 0 O-C-N 124.434 1.084 . . . . 0.0 111.007 -179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 18.6 m -65.82 106.39 1.52 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.479 0.752 . . . . 0.0 110.414 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.608 HD23 ' ND2' ' A' ' 77' ' ' ASN . 0.5 OUTLIER -105.07 135.67 45.98 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.532 1.145 . . . . 0.0 109.299 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.596 HG23 HG23 ' A' ' 28' ' ' ILE . 4.9 m -89.83 101.83 14.53 Favored 'General case' 0 C--N 1.326 -0.441 0 O-C-N 124.501 1.126 . . . . 0.0 110.364 -179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.626 ' HB2' HG23 ' A' ' 29' ' ' VAL . 71.0 m-85 -89.32 122.04 32.18 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.472 1.108 . . . . 0.0 111.025 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 20.2 t -106.8 98.03 6.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.562 1.164 . . . . 0.0 109.276 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.52 ' CB ' ' O ' ' A' ' 72' ' ' GLU . 0.3 OUTLIER -137.99 167.76 21.11 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.5 1.125 . . . . 0.0 109.258 -179.986 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . . . . . . . . . 3.5 mt -117.13 132.89 23.25 Favored Pre-proline 0 C--N 1.325 -0.499 0 O-C-N 124.496 1.122 . . . . 0.0 109.337 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 119.02 5.46 Favored 'Trans proline' 0 C--N 1.36 1.175 0 O-C-N 124.512 1.796 . . . . 0.0 111.007 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 47.7 t -79.06 81.35 5.33 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.556 1.16 . . . . 0.0 109.973 -179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -82.54 50.26 1.62 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.551 1.157 . . . . 0.0 109.997 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -83.22 -77.63 1.1 Allowed Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.529 1.143 . . . . 0.0 111.0 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.05 95.17 0.97 Allowed 'Trans proline' 0 C--N 1.36 1.148 0 O-C-N 124.498 1.788 . . . . 0.0 110.976 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -127.13 134.6 50.17 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.525 1.141 . . . . 0.0 109.993 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 8.2 t -90.96 138.98 31.19 Favored 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.476 1.11 . . . . 0.0 109.981 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.995 0 O-C-N 124.496 1.123 . . . . 0.0 111.055 -179.964 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.031 0 N-CA-C 110.998 -0.841 . . . . 0.0 110.998 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 64.59 138.63 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.507 0.769 . . . . 0.0 110.008 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 64.35 147.84 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.493 1.121 . . . . 0.0 110.038 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 123.46 155.17 9.18 Favored Glycine 0 CA--C 1.531 1.06 0 O-C-N 124.499 1.124 . . . . 0.0 110.964 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -85.7 147.67 26.24 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.556 0.798 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -147.31 96.86 2.78 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 110.008 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -86.33 159.52 32.37 Favored Glycine 0 CA--C 1.531 1.064 0 O-C-N 124.491 1.119 . . . . 0.0 110.992 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.97 -166.67 0.36 Allowed 'Trans proline' 0 C--N 1.36 1.162 0 O-C-N 124.538 1.809 . . . . 0.0 111.009 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.56 128.08 75.75 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.487 1.117 . . . . 0.0 109.288 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 87.9 m -83.58 161.18 21.24 Favored 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.465 1.103 . . . . 0.0 110.417 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 8.3 m-20 -155.51 100.14 2.09 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.436 1.085 . . . . 0.0 109.322 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.562 ' O ' ' CZ ' ' A' ' 15' ' ' TYR . 6.3 pt-20 -113.11 28.75 8.54 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.526 1.141 . . . . 0.0 110.287 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.512 ' HA ' ' CE1' ' A' ' 15' ' ' TYR . 0.1 OUTLIER -115.49 -14.77 11.53 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.988 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.626 ' O ' ' C ' ' A' ' 15' ' ' TYR . 14.2 t -105.19 21.59 3.4 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.491 1.119 . . . . 0.0 109.289 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.995 ' CB ' HD11 ' A' ' 18' ' ' ILE . 11.7 m-85 -13.13 119.85 0.01 OUTLIER 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.45 1.094 . . . . 0.0 110.985 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -65.09 -141.68 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.476 1.11 . . . . 0.0 110.268 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 2.8 p -63.56 114.38 3.9 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.524 1.14 . . . . 0.0 110.029 -179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.995 HD11 ' CB ' ' A' ' 15' ' ' TYR . 3.3 mt -116.69 140.57 38.51 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.533 1.146 . . . . 0.0 109.347 -179.979 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . . . . . . . . . . . -65.93 70.71 0.13 Allowed Glycine 0 CA--C 1.53 1.014 0 O-C-N 124.528 1.143 . . . . 0.0 110.999 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.447 ' N ' ' O ' ' A' ' 18' ' ' ILE . 0.0 OUTLIER 178.68 51.95 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 0.762 . . . . 0.0 109.563 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . . . . . . . . . 3.3 m-85 -70.91 80.97 0.64 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.513 1.133 . . . . 0.0 111.02 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 52.05 91.05 0.01 OUTLIER Glycine 0 CA--C 1.53 0.971 0 O-C-N 124.535 1.147 . . . . 0.0 110.988 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 40.26 63.65 1.3 Allowed Glycine 0 CA--C 1.531 1.054 0 N-CA-C 110.983 -0.847 . . . . 0.0 110.983 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -165.17 169.86 15.58 Favored 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.502 0.766 . . . . 0.0 110.345 179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -131.14 122.08 26.01 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.541 1.151 . . . . 0.0 110.396 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.807 HG12 HG12 ' A' ' 105' ' ' ILE . 0.6 OUTLIER -119.15 145.37 25.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.531 1.144 . . . . 0.0 109.335 179.978 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 5.4 tttt -100.73 109.12 21.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.447 1.092 . . . . 0.0 109.314 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.441 HD12 ' N ' ' A' ' 28' ' ' ILE . 4.2 mp -85.84 121.88 37.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.516 1.135 . . . . 0.0 109.277 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.467 HG11 ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -126.76 119.49 53.53 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.465 0 O-C-N 124.476 1.11 . . . . 0.0 109.315 179.996 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 83.3 mtt180 -95.65 115.63 27.71 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.541 1.151 . . . . 0.0 110.303 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.954 HG13 HD12 ' A' ' 66' ' ' LEU . 69.4 mt -115.3 138.62 45.04 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 O-C-N 124.511 1.132 . . . . 0.0 109.339 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -100.13 133.32 44.7 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 1.109 . . . . 0.0 110.323 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.595 ' HZ2' HD13 ' A' ' 39' ' ' LEU . 35.2 mtpt -134.13 146.29 50.11 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.554 1.159 . . . . 0.0 109.27 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.488 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -75.92 171.55 14.23 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.519 1.137 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.453 ' HG3' ' CD2' ' A' ' 97' ' ' HIS . 5.2 ttt85 -81.04 30.09 0.33 Allowed 'General case' 0 C--N 1.326 -0.436 0 O-C-N 124.436 1.085 . . . . 0.0 110.286 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.434 ' H ' ' C ' ' A' ' 34' ' ' ALA . 31.6 p-10 -179.57 36.4 0.0 OUTLIER 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.52 1.137 . . . . 0.0 109.332 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.488 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.7 OUTLIER -117.03 127.25 26.84 Favored Pre-proline 0 C--N 1.325 -0.483 0 O-C-N 124.527 1.142 . . . . 0.0 109.321 179.998 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 140.25 25.24 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.468 1.773 . . . . 0.0 111.019 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.595 HD13 ' HZ2' ' A' ' 33' ' ' LYS . 42.4 tp -59.11 -31.59 69.06 Favored 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.474 1.109 . . . . 0.0 109.291 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 54.94 40.07 71.32 Favored Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.489 1.118 . . . . 0.0 111.004 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.473 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -144.78 124.85 13.59 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.53 0.782 . . . . 0.0 109.271 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.4 m -85.51 151.25 24.1 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.515 1.134 . . . . 0.0 110.385 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.888 HG23 HG23 ' A' ' 86' ' ' VAL . 1.4 m -143.18 143.62 24.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.5 1.125 . . . . 0.0 109.264 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.9 ptt85 -105.86 154.75 20.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.473 1.108 . . . . 0.0 110.348 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 10.2 t-20 -94.71 118.75 32.22 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.453 1.096 . . . . 0.0 109.285 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.598 ' O ' ' C ' ' A' ' 47' ' ' MET . 2.4 mm-40 -99.85 164.92 11.82 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.125 . . . . 0.0 110.31 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.598 ' C ' ' O ' ' A' ' 46' ' ' GLU . 3.2 mmm -19.36 -58.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.447 1.092 . . . . 0.0 110.995 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.429 ' N ' ' O ' ' A' ' 46' ' ' GLU . 15.2 m-20 -152.54 22.51 0.62 Allowed 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.491 1.119 . . . . 0.0 109.347 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 49.4 m -132.83 153.74 51.0 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.446 1.091 . . . . 0.0 110.011 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.447 ' C ' HD12 ' A' ' 51' ' ' ILE . 60.5 t -107.43 104.68 17.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 O-C-N 124.473 1.108 . . . . 0.0 109.301 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.594 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.1 mp -108.05 154.03 9.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.584 1.178 . . . . 0.0 109.287 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . . . . . . . . . 9.3 mm -67.84 147.74 12.28 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 109.302 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -115.69 -48.46 2.77 Favored 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.508 1.13 . . . . 0.0 110.013 179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.415 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 0.8 OUTLIER -150.11 162.86 39.61 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.469 1.106 . . . . 0.0 110.303 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.415 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 42.2 mm -124.17 118.8 54.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.529 1.143 . . . . 0.0 109.287 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 9.1 t -84.69 148.98 4.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 O-C-N 124.476 1.11 . . . . 0.0 109.246 -179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.62 151.46 29.02 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.479 1.112 . . . . 0.0 109.289 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 73.44 3.51 62.33 Favored Glycine 0 CA--C 1.53 1.017 0 O-C-N 124.474 1.109 . . . . 0.0 110.95 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.428 ' O ' ' CG ' ' A' ' 63' ' ' LYS . . . -84.77 150.57 25.44 Favored Glycine 0 CA--C 1.53 0.975 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.473 ' CB ' ' HG2' ' A' ' 33' ' ' LYS . . . -54.31 -45.75 72.67 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.51 0.771 . . . . 0.0 109.326 -179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.473 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -53.76 -61.42 2.32 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.462 1.102 . . . . 0.0 109.306 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.414 ' O ' ' C ' ' A' ' 63' ' ' LYS . 10.8 tt0 -55.84 -52.18 64.91 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.507 1.129 . . . . 0.0 110.285 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.428 ' CG ' ' O ' ' A' ' 59' ' ' GLY . 0.0 OUTLIER -39.31 -71.02 0.09 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.446 1.091 . . . . 0.0 109.278 -179.979 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 79.4 p -57.2 -39.02 74.56 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.515 1.134 . . . . 0.0 109.973 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.52 ' C ' HD23 ' A' ' 66' ' ' LEU . . . 74.75 40.68 36.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.506 1.129 . . . . 0.0 111.061 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.954 HD12 HG13 ' A' ' 31' ' ' ILE . 6.4 mt -104.38 -14.63 15.68 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.502 0.766 . . . . 0.0 109.285 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.587 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.5 mm? -103.68 130.14 51.11 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.558 1.161 . . . . 0.0 109.343 179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -133.07 138.05 46.6 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.47 1.106 . . . . 0.0 109.599 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 59.1 mt-10 -51.22 125.82 15.05 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.519 1.137 . . . . 0.0 110.254 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 106.05 1.83 38.99 Favored Glycine 0 CA--C 1.53 0.99 0 O-C-N 124.516 1.135 . . . . 0.0 110.98 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.532 ' CG ' HD13 ' A' ' 104' ' ' LEU . 1.1 m-20 -84.02 128.54 34.62 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.496 0.762 . . . . 0.0 109.308 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' OE1' HD11 ' A' ' 51' ' ' ILE . 24.1 tt0 -95.42 129.48 42.56 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.532 1.145 . . . . 0.0 110.279 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.485 HG12 HG13 ' A' ' 81' ' ' ILE . 15.4 t -92.03 132.17 37.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.496 1.122 . . . . 0.0 109.317 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . . . . . . . . . 13.3 mt -122.23 -46.92 2.16 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.489 1.118 . . . . 0.0 109.271 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.3 mt-10 -142.92 142.23 31.66 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.539 1.15 . . . . 0.0 110.284 -179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.57 HG22 ' HE1' ' A' ' 96' ' ' MET . 34.2 mt -135.61 102.17 3.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.537 1.148 . . . . 0.0 109.278 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.541 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 1.4 t-20 85.99 -35.49 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.474 1.109 . . . . 0.0 109.302 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.09 -25.67 0.26 Allowed Glycine 0 CA--C 1.53 0.972 0 O-C-N 124.511 1.132 . . . . 0.0 111.018 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.495 ' H ' HD12 ' A' ' 79' ' ' ILE . 3.4 mp -74.8 150.19 7.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.457 0.739 . . . . 0.0 109.264 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.5 tt0 -81.78 148.41 28.92 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.55 1.156 . . . . 0.0 110.311 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.491 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.6 mm -118.15 -41.47 2.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.501 1.125 . . . . 0.0 109.322 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.25 107.52 0.19 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.47 1.106 . . . . 0.0 110.287 179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 110.18 -14.72 30.89 Favored Glycine 0 CA--C 1.53 1.005 0 O-C-N 124.532 1.145 . . . . 0.0 111.0 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 23.8 mttm -74.77 157.37 35.32 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.504 0.767 . . . . 0.0 109.318 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 88' ' ' GLU . 1.1 t0 -81.38 137.35 35.71 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.475 1.11 . . . . 0.0 109.294 179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.888 HG23 HG23 ' A' ' 43' ' ' VAL . 7.8 p -41.11 -45.32 0.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.521 1.138 . . . . 0.0 109.287 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -66.07 -44.39 84.62 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.47 1.106 . . . . 0.0 109.324 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.456 ' N ' ' O ' ' A' ' 85' ' ' ASP . 1.2 mt-10 -49.01 -50.63 35.1 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.462 1.101 . . . . 0.0 110.285 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.491 ' CG2' HG23 ' A' ' 81' ' ' ILE . 53.7 t -54.95 -51.96 48.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.488 1.118 . . . . 0.0 109.292 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.657 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 14.4 m-85 -57.85 -37.14 73.35 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.483 1.114 . . . . 0.0 110.94 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -69.79 -25.31 63.73 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.47 1.107 . . . . 0.0 109.267 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.442 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.3 OUTLIER -74.83 -65.07 0.91 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.501 1.126 . . . . 0.0 109.286 -179.968 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.535 HD11 ' CE2' ' A' ' 102' ' ' PHE . 1.4 mm? -43.9 -60.46 1.82 Allowed 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.487 1.117 . . . . 0.0 109.277 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 93' ' ' LEU . 0.1 OUTLIER -38.09 -55.59 1.26 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.479 1.112 . . . . 0.0 109.997 -179.966 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.1 t0 -58.91 -42.95 90.83 Favored 'General case' 0 C--N 1.326 -0.444 0 O-C-N 124.433 1.083 . . . . 0.0 109.305 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.57 ' HE1' HG22 ' A' ' 76' ' ' ILE . 7.4 mtm -73.43 160.66 31.42 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.475 1.11 . . . . 0.0 111.055 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.453 ' CD2' ' HG3' ' A' ' 35' ' ' ARG . 1.9 p80 -161.44 150.09 15.85 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.477 1.111 . . . . 0.0 109.628 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 97.51 -162.97 21.61 Favored Glycine 0 CA--C 1.53 0.982 0 O-C-N 124.544 1.152 . . . . 0.0 110.996 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -70.26 97.38 1.22 Allowed 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.519 0.776 . . . . 0.0 110.408 -179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.446 ' CD2' ' HB3' ' A' ' 96' ' ' MET . 0.2 OUTLIER -95.36 137.13 34.84 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.532 1.145 . . . . 0.0 109.324 179.972 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 86.8 m -90.37 106.46 18.51 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.5 1.125 . . . . 0.0 110.334 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.535 ' CE2' HD11 ' A' ' 93' ' ' LEU . 58.3 m-85 -93.06 119.31 32.16 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.555 1.16 . . . . 0.0 110.994 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 48.3 t -104.61 94.85 3.38 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 O-C-N 124.515 1.135 . . . . 0.0 109.352 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.532 HD13 ' CG ' ' A' ' 71' ' ' ASP . 0.4 OUTLIER -136.77 159.93 40.38 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.488 1.118 . . . . 0.0 109.32 179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.807 HG12 HG12 ' A' ' 26' ' ' VAL . 9.8 mt -108.96 130.17 23.04 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.484 1.115 . . . . 0.0 109.314 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 119.82 5.81 Favored 'Trans proline' 0 C--N 1.36 1.164 0 O-C-N 124.463 1.77 . . . . 0.0 111.031 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.436 ' C ' ' N ' ' A' ' 109' ' ' GLY . 5.5 t -78.88 54.85 1.63 Allowed 'General case' 0 C--N 1.326 -0.449 0 O-C-N 124.497 1.123 . . . . 0.0 109.997 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 5.3 t 40.03 29.65 0.06 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.479 1.112 . . . . 0.0 109.991 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.436 ' N ' ' C ' ' A' ' 107' ' ' SER . . . 44.66 89.27 0.01 OUTLIER Glycine 0 CA--C 1.53 0.996 0 O-C-N 124.557 1.161 . . . . 0.0 111.042 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.01 119.88 5.83 Favored 'Trans proline' 0 C--N 1.36 1.177 0 O-C-N 124.513 1.796 . . . . 0.0 110.987 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -143.4 149.06 37.14 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.477 1.111 . . . . 0.0 110.024 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -107.92 126.51 52.77 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.537 1.148 . . . . 0.0 109.955 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.061 0 O-C-N 124.528 1.142 . . . . 0.0 110.975 -179.982 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.972 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.6 t -85.57 146.86 26.69 Favored 'General case' 0 C--N 1.326 -0.435 0 O-C-N 124.422 0.719 . . . . 0.0 109.986 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -116.91 -55.99 2.3 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.992 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 179.77 -144.59 6.11 Favored Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 110.951 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.404 ' O ' ' N ' ' A' ' 7' ' ' GLY . 67.8 p -174.68 179.01 1.79 Allowed 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.457 0.739 . . . . 0.0 110.023 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 63.17 -82.43 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.467 1.104 . . . . 0.0 109.986 -179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.404 ' N ' ' O ' ' A' ' 5' ' ' SER . . . 124.36 150.85 7.98 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.54 1.15 . . . . 0.0 110.999 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -74.99 102.78 1.63 Allowed 'Trans proline' 0 C--N 1.36 1.161 0 O-C-N 124.491 1.785 . . . . 0.0 111.003 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 6.0 mm -81.86 128.48 38.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.451 0 O-C-N 124.469 1.106 . . . . 0.0 109.328 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 63.0 m -127.49 162.42 26.45 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.464 1.103 . . . . 0.0 110.421 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -98.99 112.59 24.66 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.505 1.128 . . . . 0.0 109.288 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.488 ' CG ' ' O ' ' A' ' 12' ' ' GLU . 6.1 pt-20 -175.7 119.55 0.17 Allowed 'General case' 0 C--N 1.326 -0.442 0 O-C-N 124.477 1.11 . . . . 0.0 110.268 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.484 ' O ' ' HB ' ' A' ' 14' ' ' VAL . 4.0 mtp180 54.58 88.22 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.532 1.145 . . . . 0.0 110.287 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.487 ' O ' ' C ' ' A' ' 15' ' ' TYR . 9.7 p 178.98 -28.79 0.0 OUTLIER 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.5 1.125 . . . . 0.0 109.276 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.488 ' HB2' HD11 ' A' ' 18' ' ' ILE . 51.9 m-85 -30.74 145.67 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.509 1.131 . . . . 0.0 111.037 179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 5.0 tt0 -75.52 -145.18 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.529 1.143 . . . . 0.0 110.335 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -53.27 101.75 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.455 1.097 . . . . 0.0 110.029 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.488 HD11 ' HB2' ' A' ' 15' ' ' TYR . 2.9 mt -89.97 141.32 14.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.519 0 O-C-N 124.527 1.142 . . . . 0.0 109.283 -179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.653 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -49.58 -78.35 0.1 OUTLIER Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.481 1.113 . . . . 0.0 110.997 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -48.22 97.89 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.491 0.759 . . . . 0.0 109.612 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.578 ' CZ ' HG11 ' A' ' 103' ' ' VAL . 1.3 m-30 -90.17 33.52 0.88 Allowed 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.496 1.122 . . . . 0.0 110.986 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 126.06 -83.21 0.35 Allowed Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.55 1.156 . . . . 0.0 111.005 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -122.26 -37.72 0.63 Allowed Glycine 0 CA--C 1.53 1.026 0 N-CA-C 110.967 -0.853 . . . . 0.0 110.967 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -78.34 -169.14 1.54 Allowed 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.494 0.761 . . . . 0.0 110.285 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -137.2 123.19 20.24 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.454 1.096 . . . . 0.0 110.403 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.661 HG12 ' CG1' ' A' ' 105' ' ' ILE . 6.2 m -108.21 148.22 12.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.536 1.148 . . . . 0.0 109.347 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 4.8 tttt -108.5 115.42 30.08 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.496 1.123 . . . . 0.0 109.32 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . . . . . . . . . 5.2 mp -85.53 142.31 13.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 O-C-N 124.467 1.105 . . . . 0.0 109.316 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.479 ' CG1' ' HB3' ' A' ' 66' ' ' LEU . 0.0 OUTLIER -147.92 122.44 2.16 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 O-C-N 124.49 1.119 . . . . 0.0 109.332 179.98 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.406 ' HA ' ' O ' ' A' ' 100' ' ' LEU . 1.4 mtt180 -97.66 112.99 24.64 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.457 1.098 . . . . 0.0 110.324 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.682 HD11 ' HB2' ' A' ' 66' ' ' LEU . 83.3 mt -108.4 138.35 35.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 21.2 mt-10 -95.19 118.54 32.14 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.523 1.139 . . . . 0.0 110.3 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.413 ' O ' ' N ' ' A' ' 98' ' ' GLY . 8.0 mtpm? -124.32 122.86 38.87 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.463 1.102 . . . . 0.0 109.314 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.541 ' HB3' ' CG1' ' A' ' 37' ' ' ILE . . . -63.63 169.69 3.78 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.572 1.17 . . . . 0.0 109.314 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 13.4 mtm180 -75.7 0.6 17.21 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.542 1.151 . . . . 0.0 110.352 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -144.62 28.99 1.27 Allowed 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.471 1.107 . . . . 0.0 109.28 -179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.541 ' CG1' ' HB3' ' A' ' 34' ' ' ALA . 1.0 OUTLIER -115.85 126.17 27.95 Favored Pre-proline 0 C--N 1.325 -0.479 0 O-C-N 124.483 1.115 . . . . 0.0 109.321 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.09 162.67 36.53 Favored 'Trans proline' 0 C--N 1.36 1.16 0 O-C-N 124.505 1.792 . . . . 0.0 110.993 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 37.3 tp -72.38 -41.4 66.38 Favored 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.537 1.148 . . . . 0.0 109.279 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 59.63 38.59 93.96 Favored Glycine 0 CA--C 1.531 1.031 0 O-C-N 124.525 1.14 . . . . 0.0 110.966 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.404 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.18 117.41 8.41 Favored 'General case' 0 C--N 1.324 -0.514 0 O-C-N 124.551 0.794 . . . . 0.0 109.292 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -86.39 152.15 22.95 Favored 'General case' 0 C--N 1.326 -0.445 0 O-C-N 124.457 1.098 . . . . 0.0 110.412 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.679 HG12 HD13 ' A' ' 52' ' ' ILE . 4.3 m -135.21 157.17 40.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.505 0 O-C-N 124.469 1.106 . . . . 0.0 109.282 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 1.5 ptp180 -109.63 158.22 18.27 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.497 1.123 . . . . 0.0 110.353 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -95.72 107.04 19.22 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.533 1.146 . . . . 0.0 109.318 -179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.572 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.2 mm-40 -94.11 164.83 12.91 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.502 1.126 . . . . 0.0 110.311 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.572 ' C ' ' O ' ' A' ' 46' ' ' GLU . 7.9 mmm -21.21 -57.85 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.465 1.103 . . . . 0.0 111.014 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -155.98 25.07 0.37 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.457 1.098 . . . . 0.0 109.294 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 18.6 m -132.68 153.24 51.32 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.524 1.14 . . . . 0.0 109.967 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 55.3 t -103.95 96.83 4.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.464 1.103 . . . . 0.0 109.294 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.8 mp -101.56 150.12 6.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.487 1.117 . . . . 0.0 109.322 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.679 HD13 HG12 ' A' ' 43' ' ' VAL . 13.0 mm -66.48 145.68 13.72 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.51 0 O-C-N 124.506 1.128 . . . . 0.0 109.295 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 5.0 p -117.44 -50.27 2.54 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.536 1.147 . . . . 0.0 109.981 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.423 ' HG2' ' N ' ' A' ' 55' ' ' ILE . 9.2 ttt180 -142.5 161.91 36.83 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.297 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.423 ' N ' ' HG2' ' A' ' 54' ' ' ARG . 34.8 mm -125.98 117.98 50.45 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.549 1.155 . . . . 0.0 109.329 -179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 5.4 t -79.77 145.85 8.65 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.474 0 O-C-N 124.476 1.11 . . . . 0.0 109.292 -179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -80.43 137.41 36.5 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.517 1.136 . . . . 0.0 109.274 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 89.67 -6.16 83.21 Favored Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.496 1.122 . . . . 0.0 110.993 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -76.57 141.52 26.71 Favored Glycine 0 CA--C 1.53 1.007 0 N-CA-C 111.009 -0.836 . . . . 0.0 111.009 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -47.53 -35.8 9.47 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.469 0.746 . . . . 0.0 109.28 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.417 ' HB1' ' HB2' ' A' ' 67' ' ' LEU . . . -59.56 -53.39 58.6 Favored 'General case' 0 C--N 1.325 -0.459 0 O-C-N 124.474 1.109 . . . . 0.0 109.299 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -63.15 -55.83 21.89 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.484 1.115 . . . . 0.0 110.328 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 4.2 mtpt -40.35 -64.93 0.46 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.512 1.133 . . . . 0.0 109.293 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 67.0 p -61.63 -42.36 98.78 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.537 1.148 . . . . 0.0 110.028 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 74.77 43.9 26.98 Favored Glycine 0 CA--C 1.53 0.991 0 O-C-N 124.52 1.137 . . . . 0.0 110.975 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.682 ' HB2' HD11 ' A' ' 31' ' ' ILE . 28.8 mt -111.04 -0.65 16.57 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.442 0.731 . . . . 0.0 109.314 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.614 ' CD2' HD21 ' A' ' 104' ' ' LEU . 7.8 mt -129.76 123.75 31.79 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.506 1.129 . . . . 0.0 109.28 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -134.59 155.67 50.04 Favored 'General case' 0 C--N 1.325 -0.472 0 O-C-N 124.459 1.099 . . . . 0.0 109.6 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 54.8 mt-10 -58.0 112.85 1.64 Allowed 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.458 1.099 . . . . 0.0 110.337 179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 114.59 40.31 0.94 Allowed Glycine 0 CA--C 1.53 0.988 0 O-C-N 124.487 1.117 . . . . 0.0 111.023 -179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.403 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 0.9 OUTLIER -130.81 120.18 23.34 Favored 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.468 0.746 . . . . 0.0 109.314 179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.506 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 23.3 tt0 -86.28 134.6 33.74 Favored 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.525 1.141 . . . . 0.0 110.275 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.727 HG11 HD11 ' A' ' 76' ' ' ILE . 14.3 t -99.16 138.5 23.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.46 1.1 . . . . 0.0 109.293 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.646 HD11 HD11 ' A' ' 105' ' ' ILE . 45.8 mt -121.24 -53.49 2.03 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.336 179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.6 mt-10 -136.73 147.85 46.96 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.482 1.113 . . . . 0.0 110.288 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.727 HD11 HG11 ' A' ' 73' ' ' VAL . 60.8 mt -140.91 105.69 1.72 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.287 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 m-20 69.91 9.63 7.18 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.474 1.109 . . . . 0.0 109.336 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 116.63 -29.3 6.99 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.469 1.106 . . . . 0.0 111.02 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.595 HG21 HD21 ' A' ' 92' ' ' LEU . 3.6 mp -73.92 138.45 21.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 O-C-N 124.504 0.767 . . . . 0.0 109.301 -179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -74.05 165.31 25.37 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.535 1.147 . . . . 0.0 110.336 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.544 HG23 ' CG2' ' A' ' 89' ' ' VAL . 4.8 mm -135.25 -46.51 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.511 1.132 . . . . 0.0 109.289 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -41.25 116.32 0.73 Allowed 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.437 1.085 . . . . 0.0 110.291 179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 100.65 -40.8 2.31 Favored Glycine 0 CA--C 1.53 0.976 0 O-C-N 124.485 1.116 . . . . 0.0 111.028 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -48.84 149.13 1.9 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 0.737 . . . . 0.0 109.288 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.444 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 8.1 t70 -79.54 158.18 27.24 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.558 1.161 . . . . 0.0 109.321 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.469 ' HB ' ' CE2' ' A' ' 90' ' ' PHE . 20.5 m -53.84 -46.32 63.45 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 O-C-N 124.503 1.127 . . . . 0.0 109.28 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 2.4 m-20 -60.12 -47.96 83.72 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.477 1.111 . . . . 0.0 109.287 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -51.53 42.31 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.495 1.122 . . . . 0.0 110.288 -179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.544 ' CG2' HG23 ' A' ' 81' ' ' ILE . 37.4 t -58.85 -55.08 25.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.496 1.122 . . . . 0.0 109.281 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.618 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 20.3 m-85 -53.39 -43.09 67.58 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.521 1.138 . . . . 0.0 110.974 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 2.6 t0 -67.71 -30.51 70.02 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.514 1.134 . . . . 0.0 109.316 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.595 HD21 HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -66.13 -68.09 0.4 Allowed 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.577 1.173 . . . . 0.0 109.267 -179.986 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.468 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.5 mm? -45.54 -60.54 2.13 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.492 1.12 . . . . 0.0 109.292 -179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 3.1 t -38.99 -47.94 1.53 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.518 1.137 . . . . 0.0 109.997 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -64.74 -44.67 89.37 Favored 'General case' 0 C--N 1.326 -0.453 0 O-C-N 124.494 1.121 . . . . 0.0 109.322 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.468 ' N ' ' O ' ' A' ' 93' ' ' LEU . 15.4 mtm -76.26 165.2 25.22 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.49 1.119 . . . . 0.0 111.031 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -165.11 151.34 10.1 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.52 1.137 . . . . 0.0 109.594 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.413 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 99.62 -168.99 21.97 Favored Glycine 0 CA--C 1.53 0.985 0 O-C-N 124.486 1.116 . . . . 0.0 111.017 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 2.9 m -65.65 99.62 0.46 Allowed 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.449 0.735 . . . . 0.0 110.418 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.466 ' HB2' ' CE1' ' A' ' 102' ' ' PHE . 0.4 OUTLIER -98.37 137.39 37.15 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.517 1.136 . . . . 0.0 109.291 -179.991 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . . . . . . . . . 29.2 m -89.16 99.59 12.55 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.453 1.095 . . . . 0.0 110.413 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.472 ' HB2' HG23 ' A' ' 29' ' ' VAL . 65.8 m-85 -86.69 117.59 25.54 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.486 1.116 . . . . 0.0 110.979 -179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.578 HG11 ' CZ ' ' A' ' 21' ' ' TYR . 4.1 t -107.28 94.13 2.93 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.497 1.123 . . . . 0.0 109.279 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.614 HD21 ' CD2' ' A' ' 67' ' ' LEU . 0.3 OUTLIER -133.86 158.79 42.52 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.49 1.119 . . . . 0.0 109.295 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.661 ' CG1' HG12 ' A' ' 26' ' ' VAL . 2.5 mt -107.38 132.2 21.14 Favored Pre-proline 0 C--N 1.325 -0.461 0 O-C-N 124.462 1.101 . . . . 0.0 109.282 179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . 0.42 ' HD3' ' HA ' ' A' ' 105' ' ' ILE . 18.5 Cg_endo -74.97 118.61 5.33 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.518 1.799 . . . . 0.0 111.046 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.535 ' O ' ' CB ' ' A' ' 108' ' ' SER . 0.1 OUTLIER -90.58 37.49 0.91 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.486 1.116 . . . . 0.0 109.981 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.535 ' CB ' ' O ' ' A' ' 107' ' ' SER . 1.5 t 87.71 -18.89 0.26 Allowed 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.528 1.142 . . . . 0.0 109.961 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . 0.403 ' O ' ' O ' ' A' ' 108' ' ' SER . . . 42.93 -167.58 0.01 OUTLIER Glycine 0 CA--C 1.53 1.015 0 O-C-N 124.522 1.138 . . . . 0.0 111.053 -179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.04 113.11 3.72 Favored 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.53 1.805 . . . . 0.0 111.016 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 78.3 p -105.34 154.27 20.51 Favored 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.543 1.152 . . . . 0.0 109.977 -179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 2.9 m -103.22 141.3 36.12 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.525 1.141 . . . . 0.0 109.999 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.001 0 O-C-N 124.488 1.118 . . . . 0.0 110.995 179.966 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.033 0 N-CA-C 110.949 -0.86 . . . . 0.0 110.949 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.2 t -48.34 -57.5 5.93 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.532 0.783 . . . . 0.0 109.986 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.6 p -141.19 103.04 4.36 Favored 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.547 1.155 . . . . 0.0 109.999 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.02 -167.23 37.36 Favored Glycine 0 CA--C 1.53 0.98 0 O-C-N 124.534 1.146 . . . . 0.0 111.005 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.7 m -145.04 85.21 1.74 Allowed 'General case' 0 C--N 1.324 -0.518 0 O-C-N 124.449 0.735 . . . . 0.0 110.018 -179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER 173.11 -57.96 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.447 1.092 . . . . 0.0 110.014 179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 115.21 87.03 1.4 Allowed Glycine 0 CA--C 1.531 1.049 0 O-C-N 124.553 1.158 . . . . 0.0 110.979 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -75.04 -163.43 0.19 Allowed 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.515 1.798 . . . . 0.0 110.973 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.3 mt -83.7 136.52 22.63 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.461 1.1 . . . . 0.0 109.299 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . . . . . . . . . 96.5 m -50.99 154.51 1.47 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.531 1.144 . . . . 0.0 110.438 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 65.8 m-20 -143.55 103.29 4.07 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.502 1.126 . . . . 0.0 109.242 -179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -81.09 63.55 5.49 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.291 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . . . . . . . . . 20.4 mtt180 -147.72 19.76 1.16 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.508 1.13 . . . . 0.0 110.313 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.709 HG12 ' O ' ' A' ' 14' ' ' VAL . 65.7 t -131.43 19.03 1.81 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.506 0 O-C-N 124.48 1.113 . . . . 0.0 109.377 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.618 ' HB2' HD11 ' A' ' 18' ' ' ILE . 90.5 m-85 -30.29 141.29 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.513 1.133 . . . . 0.0 111.012 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -64.43 -142.59 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.477 1.11 . . . . 0.0 110.303 -179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 3.0 p -67.13 107.72 2.41 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.517 1.136 . . . . 0.0 110.003 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.678 HG22 ' N ' ' A' ' 19' ' ' GLY . 2.7 mp -89.45 -105.75 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 O-C-N 124.5 1.125 . . . . 0.0 109.306 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.678 ' N ' HG22 ' A' ' 18' ' ' ILE . . . -169.12 -39.97 0.03 OUTLIER Glycine 0 CA--C 1.53 0.997 0 O-C-N 124.479 1.112 . . . . 0.0 110.987 -179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . 0.401 ' O ' ' O ' ' A' ' 24' ' ' GLU . 28.1 m170 -102.57 -16.38 16.11 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.474 0.75 . . . . 0.0 109.599 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.411 ' CD1' HG21 ' A' ' 26' ' ' VAL . 6.2 m-85 39.48 65.37 0.71 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.473 1.108 . . . . 0.0 110.994 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 83.43 173.33 49.63 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.51 1.131 . . . . 0.0 111.019 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -43.85 -26.1 0.73 Allowed Glycine 0 CA--C 1.53 1.006 0 N-CA-C 111.002 -0.839 . . . . 0.0 111.002 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . 0.401 ' O ' ' O ' ' A' ' 20' ' ' HIS . 0.0 OUTLIER -75.14 -175.62 2.72 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 0.787 . . . . 0.0 110.299 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -138.08 115.44 11.13 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.502 1.126 . . . . 0.0 110.431 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.919 HG12 ' CG1' ' A' ' 105' ' ' ILE . 33.1 m -94.36 155.3 3.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 109.302 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.9 tttt -114.03 108.02 16.45 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.45 1.094 . . . . 0.0 109.339 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.942 HG12 HG22 ' A' ' 103' ' ' VAL . 39.9 mt -81.66 127.39 39.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.522 0 O-C-N 124.469 1.106 . . . . 0.0 109.315 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -131.1 119.85 45.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 O-C-N 124.482 1.114 . . . . 0.0 109.298 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.512 ' HB3' HG22 ' A' ' 99' ' ' THR . 93.9 mtt180 -93.0 113.73 26.09 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.48 1.113 . . . . 0.0 110.264 -179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.84 HD11 ' HB2' ' A' ' 66' ' ' LEU . 36.1 mt -113.11 149.79 15.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.418 1.074 . . . . 0.0 109.34 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -96.64 120.37 36.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.492 1.12 . . . . 0.0 110.296 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.662 ' CB ' HD11 ' A' ' 100' ' ' LEU . 4.8 tttt -122.25 118.05 27.63 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.461 1.101 . . . . 0.0 109.274 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.657 ' HB3' ' HB ' ' A' ' 37' ' ' ILE . . . -62.69 170.05 2.77 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.487 1.117 . . . . 0.0 109.308 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 55.6 mtt180 -78.88 5.29 11.84 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.51 1.131 . . . . 0.0 110.294 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -152.4 25.08 0.61 Allowed 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.503 1.127 . . . . 0.0 109.291 -179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.657 ' HB ' ' HB3' ' A' ' 34' ' ' ALA . 0.5 OUTLIER -108.32 124.13 35.45 Favored Pre-proline 0 C--N 1.325 -0.494 0 O-C-N 124.492 1.12 . . . . 0.0 109.281 -179.999 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.99 143.61 29.29 Favored 'Trans proline' 0 C--N 1.36 1.167 0 O-C-N 124.531 1.806 . . . . 0.0 111.011 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 16.5 tp -54.11 -54.67 36.29 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.464 1.102 . . . . 0.0 109.255 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . . . . . . . . . . . 75.43 37.69 40.58 Favored Glycine 0 CA--C 1.53 0.993 0 O-C-N 124.503 1.127 . . . . 0.0 111.005 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.414 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -145.69 122.7 11.38 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.509 0.77 . . . . 0.0 109.261 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 6.8 m -85.8 154.43 21.59 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 110.402 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.981 HG23 HG22 ' A' ' 86' ' ' VAL . 13.9 m -138.61 156.39 29.18 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.544 1.153 . . . . 0.0 109.295 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' HG3' ' CB ' ' A' ' 53' ' ' SER . 13.9 mtp-105 -104.07 173.66 6.21 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.493 1.12 . . . . 0.0 110.304 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -113.45 98.58 7.17 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.504 1.127 . . . . 0.0 109.31 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.557 ' O ' ' C ' ' A' ' 47' ' ' MET . 0.8 OUTLIER -87.42 164.65 16.08 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.505 1.128 . . . . 0.0 110.302 -179.996 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.557 ' C ' ' O ' ' A' ' 46' ' ' GLU . 5.3 mmm -22.77 -58.18 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.524 1.14 . . . . 0.0 110.992 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 13.9 m-20 -153.4 23.9 0.54 Allowed 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.523 1.139 . . . . 0.0 109.317 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 12.2 m -132.54 153.51 50.89 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.507 1.129 . . . . 0.0 110.018 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 76.4 t -105.75 107.44 22.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 O-C-N 124.456 1.098 . . . . 0.0 109.306 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.405 ' N ' HD12 ' A' ' 51' ' ' ILE . 3.2 mp -106.99 153.01 8.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 O-C-N 124.47 1.106 . . . . 0.0 109.282 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.638 HD13 HG12 ' A' ' 43' ' ' VAL . 31.2 mm -65.99 141.42 18.1 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.476 1.11 . . . . 0.0 109.289 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.503 ' CB ' ' HG3' ' A' ' 44' ' ' ARG . 3.2 p -112.59 -42.7 3.59 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.485 1.116 . . . . 0.0 109.957 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.459 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 1.2 ttt-85 -158.66 162.85 37.28 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 1.121 . . . . 0.0 110.332 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.459 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 44.8 mm -121.85 121.36 64.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 O-C-N 124.542 1.151 . . . . 0.0 109.307 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . . . . . . . . . 8.0 t -85.87 146.59 6.29 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.487 1.117 . . . . 0.0 109.266 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 10.0 tppt? -78.66 150.01 32.72 Favored 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.508 1.13 . . . . 0.0 109.276 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . 0.409 ' HA2' ' CE ' ' A' ' 63' ' ' LYS . . . 74.31 3.48 65.89 Favored Glycine 0 CA--C 1.53 0.975 0 O-C-N 124.457 1.098 . . . . 0.0 110.987 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -84.53 149.76 24.99 Favored Glycine 0 CA--C 1.529 0.947 0 N-CA-C 111.027 -0.829 . . . . 0.0 111.027 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -57.74 -26.37 61.73 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.475 0.75 . . . . 0.0 109.275 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.414 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -73.7 -55.39 6.31 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.478 1.111 . . . . 0.0 109.304 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.454 ' HB2' ' CG2' ' A' ' 55' ' ' ILE . 13.0 tt0 -61.02 -54.65 42.25 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.534 1.146 . . . . 0.0 110.312 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.41 ' C ' ' O ' ' A' ' 62' ' ' GLU . 16.2 mttt -39.77 -63.63 0.57 Allowed 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.502 1.126 . . . . 0.0 109.303 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 62.2 p -64.82 -31.2 72.32 Favored 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.467 1.104 . . . . 0.0 109.969 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 63.89 36.56 93.45 Favored Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.498 1.124 . . . . 0.0 111.012 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.84 ' HB2' HD11 ' A' ' 31' ' ' ILE . 16.7 mt -96.23 -13.84 23.14 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.473 0.749 . . . . 0.0 109.273 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.626 ' CD2' ' CD1' ' A' ' 31' ' ' ILE . 3.5 mm? -104.01 132.72 49.99 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.487 1.117 . . . . 0.0 109.331 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 24.5 m80 -133.38 135.57 44.76 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.522 1.139 . . . . 0.0 109.591 -179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.41 ' HA ' ' CG2' ' A' ' 52' ' ' ILE . 57.7 mt-10 -52.01 134.49 32.09 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.49 1.119 . . . . 0.0 110.304 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 95.47 10.26 57.05 Favored Glycine 0 CA--C 1.529 0.967 0 O-C-N 124.477 1.11 . . . . 0.0 111.014 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -95.59 132.22 40.97 Favored 'General case' 0 C--N 1.325 -0.495 0 O-C-N 124.467 0.746 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.52 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 36.6 tt0 -99.41 137.66 37.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.483 1.114 . . . . 0.0 110.326 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.854 ' C ' HD13 ' A' ' 74' ' ' LEU . 12.5 t -103.93 142.79 16.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.307 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.854 HD13 ' C ' ' A' ' 73' ' ' VAL . 0.0 OUTLIER -126.19 -45.36 1.7 Allowed 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.549 1.155 . . . . 0.0 109.319 179.97 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 2.0 tt0 -142.86 142.23 31.74 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.515 1.135 . . . . 0.0 110.27 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.567 HD11 HG11 ' A' ' 73' ' ' VAL . 28.0 mt -136.74 109.0 7.32 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.476 0 O-C-N 124.513 1.133 . . . . 0.0 109.292 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.3 m-20 70.0 18.03 7.27 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.469 1.106 . . . . 0.0 109.262 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 101.65 -24.06 32.81 Favored Glycine 0 CA--C 1.53 1.025 0 O-C-N 124.48 1.113 . . . . 0.0 111.05 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.645 HG21 ' CD2' ' A' ' 92' ' ' LEU . 2.9 mp -71.59 137.22 24.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 O-C-N 124.507 0.769 . . . . 0.0 109.348 179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -73.44 144.76 46.19 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.539 1.15 . . . . 0.0 110.302 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.572 HG23 ' CG2' ' A' ' 89' ' ' VAL . 3.1 mm -117.77 -42.14 2.72 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.493 1.121 . . . . 0.0 109.297 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.7 122.84 2.1 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.476 1.11 . . . . 0.0 110.3 -179.966 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 99.09 -43.41 1.85 Allowed Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.487 1.117 . . . . 0.0 111.021 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.41 ' O ' ' O ' ' A' ' 85' ' ' ASP . 34.6 mttm -53.82 131.37 39.6 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.52 0.776 . . . . 0.0 109.334 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.41 ' O ' ' O ' ' A' ' 84' ' ' LYS . 1.9 t70 -55.56 -166.93 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.488 1.118 . . . . 0.0 109.333 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.981 HG22 HG23 ' A' ' 43' ' ' VAL . 0.9 OUTLIER -85.44 -43.87 16.9 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.524 1.14 . . . . 0.0 109.275 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -67.63 -40.81 84.61 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.436 1.085 . . . . 0.0 109.285 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.532 ' O ' HD12 ' A' ' 92' ' ' LEU . 3.9 mm-40 -52.98 -42.72 65.82 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.561 1.163 . . . . 0.0 110.327 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.572 ' CG2' HG23 ' A' ' 81' ' ' ILE . 3.0 t -62.82 -46.9 95.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.449 0 O-C-N 124.433 1.083 . . . . 0.0 109.307 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.672 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 13.8 m-85 -61.84 -38.1 86.95 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.48 1.112 . . . . 0.0 111.016 179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -66.5 -27.5 67.83 Favored 'General case' 0 C--N 1.325 -0.5 0 O-C-N 124.475 1.11 . . . . 0.0 109.293 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.645 ' CD2' HG21 ' A' ' 79' ' ' ILE . 0.3 OUTLIER -69.18 -64.57 0.85 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.504 1.128 . . . . 0.0 109.331 179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.484 ' O ' ' N ' ' A' ' 96' ' ' MET . 1.0 OUTLIER -48.08 -59.45 3.38 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.537 1.148 . . . . 0.0 109.305 -179.992 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -38.54 -47.46 1.3 Allowed 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.544 1.152 . . . . 0.0 109.992 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -67.14 -43.47 82.25 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.544 1.153 . . . . 0.0 109.286 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.484 ' N ' ' O ' ' A' ' 93' ' ' LEU . 16.0 mtm -74.95 165.32 25.44 Favored 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.463 1.102 . . . . 0.0 111.011 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -161.1 161.98 31.39 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.499 1.125 . . . . 0.0 109.569 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . . . . . . . . . . . 88.34 -162.03 31.77 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.486 1.116 . . . . 0.0 111.012 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.512 HG22 ' HB3' ' A' ' 30' ' ' ARG . 2.2 m -70.55 97.52 1.33 Allowed 'General case' 0 C--N 1.324 -0.511 0 O-C-N 124.5 0.765 . . . . 0.0 110.399 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.662 HD11 ' CB ' ' A' ' 33' ' ' LYS . 0.2 OUTLIER -91.72 136.83 32.85 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.506 1.129 . . . . 0.0 109.297 179.983 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.508 HG23 HG23 ' A' ' 28' ' ' ILE . 18.5 m -92.22 99.69 12.43 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.494 1.121 . . . . 0.0 110.428 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . . . . . . . . . 77.4 m-85 -84.82 116.72 23.45 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.504 1.127 . . . . 0.0 111.052 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.942 HG22 HG12 ' A' ' 28' ' ' ILE . 9.4 t -106.92 100.21 10.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 O-C-N 124.488 1.118 . . . . 0.0 109.303 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.528 HD22 HG22 ' A' ' 73' ' ' VAL . 0.2 OUTLIER -142.46 161.96 36.69 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.521 1.138 . . . . 0.0 109.311 179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.919 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.2 mt -107.54 123.82 36.87 Favored Pre-proline 0 C--N 1.325 -0.484 0 O-C-N 124.549 1.156 . . . . 0.0 109.299 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.1 Cg_endo -74.99 117.85 5.06 Favored 'Trans proline' 0 C--N 1.361 1.206 0 O-C-N 124.461 1.769 . . . . 0.0 110.979 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . 0.502 ' O ' ' CB ' ' A' ' 108' ' ' SER . 2.8 t -72.22 62.58 0.49 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.513 1.133 . . . . 0.0 109.981 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 107' ' ' SER . 1.7 t 85.09 -10.21 0.81 Allowed 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.479 1.112 . . . . 0.0 110.002 -179.993 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 60.78 161.21 0.1 Allowed Glycine 0 CA--C 1.53 0.981 0 O-C-N 124.474 1.109 . . . . 0.0 111.016 179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . 0.402 ' O ' ' CB ' ' A' ' 111' ' ' SER . 18.3 Cg_endo -75.02 113.97 3.92 Favored 'Trans proline' 0 C--N 1.361 1.192 0 O-C-N 124.463 1.77 . . . . 0.0 110.989 -179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . 0.402 ' CB ' ' O ' ' A' ' 110' ' ' PRO . 0.1 OUTLIER 78.28 138.03 0.07 Allowed 'General case' 0 C--N 1.325 -0.493 0 O-C-N 124.474 1.109 . . . . 0.0 109.961 179.979 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.92 93.02 4.49 Favored 'General case' 0 C--N 1.325 -0.463 0 O-C-N 124.492 1.12 . . . . 0.0 110.016 179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.989 0 O-C-N 124.474 1.109 . . . . 0.0 110.996 -179.987 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.985 0 N-CA-C 111.026 -0.83 . . . . 0.0 111.026 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -174.09 155.89 2.57 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 0.759 . . . . 0.0 110.015 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.0 t -167.56 150.55 6.06 Favored 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.508 1.13 . . . . 0.0 110.016 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -137.68 -174.17 13.25 Favored Glycine 0 CA--C 1.53 1.006 0 O-C-N 124.489 1.118 . . . . 0.0 110.981 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 11.6 t -168.7 170.76 9.17 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.496 0.762 . . . . 0.0 110.008 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.2 m -155.08 164.12 39.31 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.435 1.085 . . . . 0.0 110.044 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -151.04 -144.75 3.98 Favored Glycine 0 CA--C 1.531 1.063 0 O-C-N 124.494 1.121 . . . . 0.0 110.969 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -75.02 97.63 1.1 Allowed 'Trans proline' 0 C--N 1.36 1.135 0 O-C-N 124.51 1.795 . . . . 0.0 110.97 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . 0.407 ' CG2' ' N ' ' A' ' 10' ' ' THR . 71.8 mt -106.08 159.55 6.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 O-C-N 124.471 1.107 . . . . 0.0 109.272 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.407 ' N ' ' CG2' ' A' ' 9' ' ' ILE . 6.3 m 56.92 163.52 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.486 1.116 . . . . 0.0 110.407 -179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . 0.426 ' O ' ' N ' ' A' ' 13' ' ' ARG . 1.6 m-20 -111.5 105.36 13.92 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.497 1.123 . . . . 0.0 109.309 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -69.62 59.54 0.14 Allowed 'General case' 0 C--N 1.326 -0.454 0 O-C-N 124.508 1.13 . . . . 0.0 110.305 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.426 ' N ' ' O ' ' A' ' 11' ' ' ASP . 0.0 OUTLIER -146.91 15.58 1.2 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.465 1.103 . . . . 0.0 110.293 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.596 HG12 ' O ' ' A' ' 14' ' ' VAL . 61.4 t -110.68 20.7 5.96 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.487 1.117 . . . . 0.0 109.334 179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 42.6 m-85 -45.15 170.91 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.469 0 O-C-N 124.506 1.129 . . . . 0.0 110.976 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . . . . . . . . . 1.5 tm-20 -100.45 -158.19 0.66 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.546 1.154 . . . . 0.0 110.301 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 1.4 m -52.47 107.6 0.23 Allowed 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.465 1.103 . . . . 0.0 110.031 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.601 ' O ' ' CE1' ' A' ' 21' ' ' TYR . 2.7 mt -93.07 155.38 3.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.495 1.122 . . . . 0.0 109.325 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.667 ' O ' HG22 ' A' ' 26' ' ' VAL . . . -60.17 -61.73 6.82 Favored Glycine 0 CA--C 1.53 0.977 0 O-C-N 124.517 1.135 . . . . 0.0 111.045 -179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 75.4 m80 -62.38 100.72 0.19 Allowed 'General case' 0 C--N 1.326 -0.447 0 O-C-N 124.495 0.762 . . . . 0.0 109.576 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.601 ' CE1' ' O ' ' A' ' 18' ' ' ILE . 1.3 m-30 -102.8 76.08 1.46 Allowed 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.541 1.15 . . . . 0.0 111.056 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . . . . . . . . . . . 89.87 -71.59 2.18 Favored Glycine 0 CA--C 1.53 0.986 0 O-C-N 124.464 1.102 . . . . 0.0 110.99 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . -135.76 -46.38 0.09 OUTLIER Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.982 -0.847 . . . . 0.0 110.982 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.36 -168.63 0.44 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.46 0.741 . . . . 0.0 110.32 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -138.61 122.99 18.31 Favored 'General case' 0 C--N 1.326 -0.451 0 O-C-N 124.455 1.097 . . . . 0.0 110.386 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.667 HG22 ' O ' ' A' ' 19' ' ' GLY . 12.7 m -106.65 152.1 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.491 1.12 . . . . 0.0 109.318 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 6.3 tttt -104.53 122.62 45.95 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.479 1.112 . . . . 0.0 109.32 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.589 HG23 HG22 ' A' ' 101' ' ' THR . 5.3 mp -95.21 132.12 40.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.487 1.117 . . . . 0.0 109.36 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.552 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -140.51 120.52 12.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.531 1.144 . . . . 0.0 109.32 -179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mtt180 -96.15 110.62 22.86 Favored 'General case' 0 C--N 1.324 -0.525 0 O-C-N 124.484 1.115 . . . . 0.0 110.286 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.686 ' CG1' HD12 ' A' ' 66' ' ' LEU . 78.7 mt -102.36 139.63 22.89 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 O-C-N 124.491 1.119 . . . . 0.0 109.291 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 13.9 mt-10 -92.21 103.79 16.23 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.491 1.119 . . . . 0.0 110.29 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.403 ' O ' ' N ' ' A' ' 98' ' ' GLY . 7.9 tttt -105.18 125.23 50.76 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.518 1.136 . . . . 0.0 109.284 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.476 ' O ' ' N ' ' A' ' 36' ' ' ASP . . . -95.88 133.75 39.68 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.559 1.162 . . . . 0.0 109.305 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . 0.556 ' HG2' ' CD2' ' A' ' 97' ' ' HIS . 0.8 OUTLIER -56.72 84.63 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.494 1.121 . . . . 0.0 110.299 -179.954 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . 0.549 ' CB ' ' O ' ' A' ' 35' ' ' ARG . 1.4 m-20 152.69 -23.16 0.0 OUTLIER 'General case' 0 C--N 1.326 -0.452 0 O-C-N 124.465 1.103 . . . . 0.0 109.328 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.406 ' HA ' ' HD3' ' A' ' 38' ' ' PRO . 0.1 OUTLIER -89.64 131.08 40.94 Favored Pre-proline 0 C--N 1.325 -0.472 0 O-C-N 124.498 1.124 . . . . 0.0 109.276 179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . 0.406 ' HD3' ' HA ' ' A' ' 37' ' ' ILE . 18.3 Cg_endo -75.02 174.33 12.97 Favored 'Trans proline' 0 C--N 1.361 1.191 0 O-C-N 124.481 1.779 . . . . 0.0 111.03 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . 0.6 HD22 HD12 ' A' ' 93' ' ' LEU . 3.4 tp -78.62 -58.58 3.17 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.533 1.146 . . . . 0.0 109.346 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.43 ' O ' ' N ' ' A' ' 56' ' ' VAL . . . 73.29 31.74 60.95 Favored Glycine 0 CA--C 1.53 0.995 0 O-C-N 124.489 1.118 . . . . 0.0 111.01 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . 0.69 ' HB2' ' HB3' ' A' ' 61' ' ' ALA . . . -146.28 118.48 8.34 Favored 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.493 0.761 . . . . 0.0 109.333 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . . . . . . . . . 2.2 m -85.34 150.15 24.95 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.497 1.123 . . . . 0.0 110.453 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.692 HG12 HD13 ' A' ' 52' ' ' ILE . 4.1 m -143.8 138.55 25.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.479 0 O-C-N 124.485 1.115 . . . . 0.0 109.317 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . . . . . . . . . 0.5 OUTLIER -105.33 146.0 29.99 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.493 1.12 . . . . 0.0 110.283 -179.994 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . 0.515 ' OD1' ' N ' ' A' ' 86' ' ' VAL . 0.4 OUTLIER -95.28 104.99 16.9 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.458 1.099 . . . . 0.0 109.283 -179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.644 ' HB2' HD13 ' A' ' 51' ' ' ILE . 1.1 mm-40 -79.67 171.44 15.13 Favored 'General case' 0 C--N 1.326 -0.448 0 O-C-N 124.5 1.125 . . . . 0.0 110.314 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.637 ' C ' ' O ' ' A' ' 46' ' ' GLU . 6.1 mmt -11.14 -63.45 0.0 OUTLIER 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.504 1.127 . . . . 0.0 110.955 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . 0.537 ' N ' ' O ' ' A' ' 46' ' ' GLU . 66.9 m-20 -149.69 19.73 0.91 Allowed 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.516 1.135 . . . . 0.0 109.296 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . 0.53 ' HB3' HD11 ' A' ' 51' ' ' ILE . 3.9 m -134.55 133.87 40.75 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.492 1.12 . . . . 0.0 110.038 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . 0.832 ' C ' HD12 ' A' ' 51' ' ' ILE . 1.7 p -88.78 114.92 27.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.492 0 O-C-N 124.484 1.115 . . . . 0.0 109.279 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.832 HD12 ' C ' ' A' ' 50' ' ' VAL . 1.8 mp -116.96 147.9 20.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.505 1.128 . . . . 0.0 109.283 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.692 HD13 HG12 ' A' ' 43' ' ' VAL . 44.1 mm -58.26 141.78 14.81 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.487 1.117 . . . . 0.0 109.274 -179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . . . . . . . . . 0.0 OUTLIER -111.91 -47.82 3.1 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.51 1.131 . . . . 0.0 109.99 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.451 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -150.09 161.47 42.3 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.545 1.153 . . . . 0.0 110.315 -179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.451 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 49.7 mm -127.18 120.78 56.13 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 O-C-N 124.503 1.127 . . . . 0.0 109.301 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.43 ' N ' ' O ' ' A' ' 40' ' ' GLY . 15.1 t -90.2 150.82 3.61 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.488 1.117 . . . . 0.0 109.267 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 3.3 tppt? -76.28 149.23 37.14 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.512 1.132 . . . . 0.0 109.263 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 75.67 -0.6 60.73 Favored Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.53 1.144 . . . . 0.0 111.025 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . 0.403 ' O ' ' N ' ' A' ' 62' ' ' GLU . . . -80.77 131.71 10.66 Favored Glycine 0 CA--C 1.53 1.002 0 N-CA-C 110.993 -0.843 . . . . 0.0 110.993 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . . . . . . . . . . . -40.44 -38.6 0.85 Allowed 'General case' 0 C--N 1.326 -0.455 0 O-C-N 124.495 0.762 . . . . 0.0 109.349 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . 0.69 ' HB3' ' HB2' ' A' ' 41' ' ' ALA . . . -61.96 -54.33 43.21 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.471 1.107 . . . . 0.0 109.316 179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.403 ' N ' ' O ' ' A' ' 59' ' ' GLY . 11.1 tt0 -61.1 -58.21 9.33 Favored 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.467 1.104 . . . . 0.0 110.269 -179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . . . . . . . . . 7.1 mtmt -41.73 -65.34 0.46 Allowed 'General case' 0 C--N 1.325 -0.487 0 O-C-N 124.475 1.109 . . . . 0.0 109.304 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . . . . . . . . . 90.6 p -59.6 -27.41 66.27 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.53 1.144 . . . . 0.0 110.018 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.402 ' N ' ' O ' ' A' ' 62' ' ' GLU . . . 58.05 43.11 95.27 Favored Glycine 0 CA--C 1.53 1.001 0 O-C-N 124.479 1.112 . . . . 0.0 110.959 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.686 HD12 ' CG1' ' A' ' 31' ' ' ILE . 27.6 mt -104.68 -15.19 15.34 Favored 'General case' 0 C--N 1.324 -0.504 0 O-C-N 124.467 0.745 . . . . 0.0 109.318 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.684 ' CD2' HD11 ' A' ' 31' ' ' ILE . 3.2 mm? -105.73 131.96 52.44 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.499 1.125 . . . . 0.0 109.328 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 32.7 m80 -133.49 136.35 45.03 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.522 1.139 . . . . 0.0 109.592 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 61.4 mt-10 -49.19 122.03 5.54 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.518 1.136 . . . . 0.0 110.359 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . 0.42 ' C ' HG23 ' A' ' 51' ' ' ILE . . . 107.17 -1.54 35.19 Favored Glycine 0 CA--C 1.531 1.034 0 O-C-N 124.485 1.116 . . . . 0.0 111.005 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.411 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 1.1 m-20 -79.3 124.95 28.88 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.497 0.763 . . . . 0.0 109.302 -179.99 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.527 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 28.8 tt0 -91.05 131.26 36.74 Favored 'General case' 0 C--N 1.325 -0.498 0 O-C-N 124.499 1.124 . . . . 0.0 110.294 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.657 ' HB ' HG13 ' A' ' 50' ' ' VAL . 19.3 t -99.99 138.39 24.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.478 0 O-C-N 124.434 1.084 . . . . 0.0 109.331 -179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.538 HD11 HD11 ' A' ' 105' ' ' ILE . 9.8 mt -126.25 -43.67 1.77 Allowed 'General case' 0 C--N 1.324 -0.517 0 O-C-N 124.524 1.14 . . . . 0.0 109.264 -179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . . . . . . . . . 1.9 mt-10 -142.58 135.95 28.74 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.469 1.106 . . . . 0.0 110.272 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.815 HG21 HD21 ' A' ' 93' ' ' LEU . 10.4 mt -122.5 102.11 11.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.469 0 O-C-N 124.553 1.158 . . . . 0.0 109.296 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . 0.539 ' CB ' ' O ' ' A' ' 76' ' ' ILE . 1.6 t-20 86.23 -37.45 0.04 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.436 1.085 . . . . 0.0 109.317 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 161.91 -26.09 0.25 Allowed Glycine 0 CA--C 1.53 0.992 0 O-C-N 124.528 1.142 . . . . 0.0 111.038 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.532 ' H ' HD12 ' A' ' 79' ' ' ILE . 3.2 mp -75.79 144.63 11.71 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 O-C-N 124.503 0.767 . . . . 0.0 109.257 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.9 155.86 22.34 Favored 'General case' 0 C--N 1.326 -0.44 0 O-C-N 124.506 1.129 . . . . 0.0 110.313 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.93 HD13 HG22 ' A' ' 89' ' ' VAL . 0.6 OUTLIER -134.73 -56.11 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 O-C-N 124.513 1.133 . . . . 0.0 109.318 179.976 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . 0.439 ' NH2' ' OE2' ' A' ' 72' ' ' GLU . 0.8 OUTLIER -42.73 121.53 2.06 Favored 'General case' 0 C--N 1.326 -0.43 0 O-C-N 124.471 1.107 . . . . 0.0 110.314 -179.965 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 103.2 -30.66 9.93 Favored Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.454 1.096 . . . . 0.0 111.012 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . 0.556 ' HE3' HD11 ' A' ' 92' ' ' LEU . 9.8 mttp -64.21 159.19 21.22 Favored 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.58 0.812 . . . . 0.0 109.306 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . 0.425 ' HA ' ' OD1' ' A' ' 45' ' ' ASN . 20.5 t0 -85.63 158.82 19.99 Favored 'General case' 0 C--N 1.325 -0.492 0 O-C-N 124.503 1.127 . . . . 0.0 109.303 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.583 ' O ' ' CD2' ' A' ' 90' ' ' PHE . 10.4 m -53.4 -47.06 59.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.484 0 O-C-N 124.519 1.137 . . . . 0.0 109.309 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -58.54 -45.65 88.47 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.484 1.115 . . . . 0.0 109.288 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.518 ' O ' HD12 ' A' ' 92' ' ' LEU . 7.1 mm-40 -61.64 -53.3 57.99 Favored 'General case' 0 C--N 1.326 -0.446 0 O-C-N 124.488 1.117 . . . . 0.0 110.295 -179.982 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.93 HG22 HD13 ' A' ' 81' ' ' ILE . 39.2 t -54.09 -37.12 33.97 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 O-C-N 124.501 1.126 . . . . 0.0 109.323 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.614 ' CZ ' HG22 ' A' ' 43' ' ' VAL . 15.6 m-85 -74.85 -67.13 0.67 Allowed 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.495 1.122 . . . . 0.0 110.977 -179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 1.8 t70 -42.07 -29.61 0.24 Allowed 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.487 1.117 . . . . 0.0 109.29 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.556 HD11 ' HE3' ' A' ' 84' ' ' LYS . 0.2 OUTLIER -57.38 -66.67 0.42 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.459 1.099 . . . . 0.0 109.275 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.815 HD21 HG21 ' A' ' 76' ' ' ILE . 83.6 mt -49.33 -46.0 46.24 Favored 'General case' 0 C--N 1.324 -0.506 0 O-C-N 124.533 1.145 . . . . 0.0 109.304 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -40.72 -56.32 2.18 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.513 1.133 . . . . 0.0 110.037 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -64.16 -40.22 95.67 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.56 1.163 . . . . 0.0 109.277 179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.598 ' HE2' HD23 ' A' ' 93' ' ' LEU . 20.0 mtm -77.67 176.32 9.09 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.53 1.144 . . . . 0.0 110.988 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . 0.556 ' CD2' ' HG2' ' A' ' 35' ' ' ARG . 1.1 p80 -177.96 177.23 1.07 Allowed 'General case' 0 C--N 1.324 -0.508 0 O-C-N 124.537 1.148 . . . . 0.0 109.611 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.403 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 75.52 -165.82 54.51 Favored Glycine 0 CA--C 1.53 1.023 0 O-C-N 124.502 1.126 . . . . 0.0 110.978 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . . . . . . . . . 37.8 m -65.67 97.61 0.33 Allowed 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.483 0.755 . . . . 0.0 110.397 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -98.18 134.01 41.82 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.517 1.136 . . . . 0.0 109.298 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.589 HG22 HG23 ' A' ' 28' ' ' ILE . 43.9 m -89.35 112.68 23.84 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.449 1.093 . . . . 0.0 110.438 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.552 ' HB2' HG23 ' A' ' 29' ' ' VAL . 45.6 m-85 -95.22 121.46 36.89 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.49 1.119 . . . . 0.0 110.953 -179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . . . . . . . . . 11.4 t -107.99 94.99 3.43 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 O-C-N 124.517 1.136 . . . . 0.0 109.304 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.53 HD21 HD11 ' A' ' 67' ' ' LEU . 0.2 OUTLIER -136.73 157.77 46.0 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.446 1.091 . . . . 0.0 109.294 179.996 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.65 ' CG1' HG12 ' A' ' 26' ' ' VAL . 3.1 mt -102.86 128.65 27.36 Favored Pre-proline 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.338 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.03 118.67 5.34 Favored 'Trans proline' 0 C--N 1.36 1.155 0 O-C-N 124.514 1.797 . . . . 0.0 111.023 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 39.6 t -84.33 79.63 9.48 Favored 'General case' 0 C--N 1.325 -0.46 0 O-C-N 124.458 1.099 . . . . 0.0 109.977 -179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -80.04 54.74 1.98 Allowed 'General case' 0 C--N 1.325 -0.462 0 O-C-N 124.463 1.102 . . . . 0.0 109.977 -179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . 121.94 99.27 1.55 Allowed Glycine 0 CA--C 1.529 0.947 0 O-C-N 124.504 1.128 . . . . 0.0 111.006 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.4 Cg_endo -75.01 107.99 2.61 Favored 'Trans proline' 0 C--N 1.36 1.179 0 O-C-N 124.465 1.771 . . . . 0.0 111.03 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -41.96 130.65 3.46 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.483 1.114 . . . . 0.0 109.973 -179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 4.5 m -92.89 140.16 29.78 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.527 1.142 . . . . 0.0 109.981 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.998 0 O-C-N 124.486 1.116 . . . . 0.0 110.982 -179.96 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 0.973 0 N-CA-C 111.036 -0.826 . . . . 0.0 111.036 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 0.1 OUTLIER -121.95 161.81 22.2 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 0.775 . . . . 0.0 110.004 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.9 m -94.44 160.95 14.42 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.47 1.106 . . . . 0.0 110.0 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -98.7 164.82 20.96 Favored Glycine 0 CA--C 1.53 1.021 0 O-C-N 124.472 1.107 . . . . 0.0 110.985 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.0 p -124.21 128.71 49.6 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.455 0.738 . . . . 0.0 109.998 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.7 p -102.1 73.32 1.37 Allowed 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.519 1.137 . . . . 0.0 109.983 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.25 -154.13 29.67 Favored Glycine 0 CA--C 1.53 1.026 0 O-C-N 124.454 1.096 . . . . 0.0 111.007 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' PRO . . . . . . . . . . . . . 18.5 Cg_endo -74.95 91.28 1.03 Allowed 'Trans proline' 0 C--N 1.36 1.145 0 O-C-N 124.516 1.798 . . . . 0.0 111.015 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ILE . . . . . . . . . . . . . 31.9 mt -92.12 138.73 19.24 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 O-C-N 124.516 1.135 . . . . 0.0 109.289 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' THR . . . . . 0.539 ' HB ' ' CE2' ' A' ' 15' ' ' TYR . 0.5 OUTLIER -76.28 -168.12 0.89 Allowed 'General case' 0 C--N 1.324 -0.519 0 O-C-N 124.518 1.136 . . . . 0.0 110.369 179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -76.36 -142.7 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.45 0 O-C-N 124.472 1.107 . . . . 0.0 109.248 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' GLU . . . . . 0.64 ' O ' HG23 ' A' ' 14' ' ' VAL . 4.5 tt0 -146.74 99.63 3.22 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.456 1.097 . . . . 0.0 110.295 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ARG . . . . . 0.462 ' CG ' ' C ' ' A' ' 12' ' ' GLU . 0.0 OUTLIER 51.08 22.06 1.17 Allowed 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.49 1.119 . . . . 0.0 110.306 -179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . 0.667 HG12 ' O ' ' A' ' 14' ' ' VAL . 87.6 t -130.66 16.56 2.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.492 1.12 . . . . 0.0 109.288 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . 0.539 ' CE2' ' HB ' ' A' ' 10' ' ' THR . 85.6 m-85 -45.45 150.46 0.46 Allowed 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.483 1.114 . . . . 0.0 110.954 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' GLU . . . . . 0.531 ' O ' HD12 ' A' ' 18' ' ' ILE . 1.4 mp0 -84.75 -145.37 0.09 Allowed 'General case' 0 C--N 1.325 -0.458 0 O-C-N 124.47 1.106 . . . . 0.0 110.291 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' SER . . . . . . . . . . . . . 6.4 p -58.34 113.03 1.77 Allowed 'General case' 0 C--N 1.324 -0.503 0 O-C-N 124.491 1.12 . . . . 0.0 110.001 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' ILE . . . . . 0.531 HD12 ' O ' ' A' ' 16' ' ' GLU . 2.7 mp -104.44 141.48 19.88 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.458 0 O-C-N 124.491 1.12 . . . . 0.0 109.31 -179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' GLY . . . . . 0.469 ' HA2' HD11 ' A' ' 28' ' ' ILE . . . -90.37 81.73 1.37 Allowed Glycine 0 CA--C 1.53 0.984 0 O-C-N 124.486 1.116 . . . . 0.0 111.005 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' HIS . . . . . . . . . . . . . 16.0 t60 -172.15 -49.99 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.484 0.755 . . . . 0.0 109.59 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' TYR . . . . . 0.512 ' CD1' HG21 ' A' ' 26' ' ' VAL . 6.3 m-85 37.24 81.37 0.02 OUTLIER 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.473 1.108 . . . . 0.0 110.998 -179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' GLY . . . . . 0.415 ' C ' ' O ' ' A' ' 21' ' ' TYR . . . -36.84 143.85 0.14 Allowed Glycine 0 CA--C 1.531 1.058 0 O-C-N 124.502 1.126 . . . . 0.0 110.96 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLY . . . . . . . . . . . . . . . 87.26 -64.52 3.8 Favored Glycine 0 CA--C 1.53 1.015 0 N-CA-C 111.016 -0.834 . . . . 0.0 111.016 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -100.01 -176.14 3.16 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.514 0.773 . . . . 0.0 110.318 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -134.93 121.18 20.16 Favored 'General case' 0 C--N 1.325 -0.474 0 O-C-N 124.498 1.124 . . . . 0.0 110.42 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' VAL . . . . . 0.607 HG12 HD12 ' A' ' 74' ' ' LEU . 12.8 m -103.0 140.35 21.49 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 O-C-N 124.438 1.086 . . . . 0.0 109.303 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LYS . . . . . . . . . . . . . 2.6 tttt -105.98 111.43 24.07 Favored 'General case' 0 C--N 1.324 -0.515 0 O-C-N 124.471 1.107 . . . . 0.0 109.289 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ILE . . . . . 0.606 HG23 HG23 ' A' ' 101' ' ' THR . 4.3 mp -83.78 140.54 16.05 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 O-C-N 124.474 1.109 . . . . 0.0 109.326 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' VAL . . . . . 0.623 HG23 ' HB2' ' A' ' 102' ' ' PHE . 0.0 OUTLIER -139.7 117.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 O-C-N 124.478 1.111 . . . . 0.0 109.295 179.974 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.3 mtm180 -82.8 101.68 11.1 Favored 'General case' 0 C--N 1.325 -0.475 0 O-C-N 124.458 1.098 . . . . 0.0 110.308 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.591 HG12 HD23 ' A' ' 66' ' ' LEU . 55.2 mt -99.19 134.37 38.48 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 O-C-N 124.523 1.139 . . . . 0.0 109.286 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -94.71 111.57 23.34 Favored 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.476 1.11 . . . . 0.0 110.322 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' LYS . . . . . 0.443 ' O ' ' N ' ' A' ' 98' ' ' GLY . 0.7 OUTLIER -116.97 144.8 44.15 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.541 1.151 . . . . 0.0 109.293 179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . 0.618 ' HB3' HG13 ' A' ' 37' ' ' ILE . . . -91.74 171.58 9.06 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 124.511 1.132 . . . . 0.0 109.304 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ARG . . . . . . . . . . . . . 18.5 mtm180 -85.25 25.76 0.96 Allowed 'General case' 0 C--N 1.324 -0.526 0 O-C-N 124.496 1.122 . . . . 0.0 110.334 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' ASP . . . . . . . . . . . . . 3.5 t0 -172.76 34.2 0.01 OUTLIER 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.533 1.145 . . . . 0.0 109.264 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ILE . . . . . 0.618 HG13 ' HB3' ' A' ' 34' ' ' ALA . 0.9 OUTLIER -114.78 130.5 24.08 Favored Pre-proline 0 C--N 1.325 -0.47 0 O-C-N 124.478 1.111 . . . . 0.0 109.291 179.969 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -75.0 140.85 25.95 Favored 'Trans proline' 0 C--N 1.36 1.151 0 O-C-N 124.507 1.793 . . . . 0.0 110.998 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' LEU . . . . . . . . . . . . . 6.5 tp -57.34 -56.0 27.44 Favored 'General case' 0 C--N 1.325 -0.488 0 O-C-N 124.542 1.151 . . . . 0.0 109.285 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' GLY . . . . . 0.41 ' CA ' ' HB ' ' A' ' 56' ' ' VAL . . . 65.56 42.09 95.79 Favored Glycine 0 CA--C 1.529 0.966 0 O-C-N 124.555 1.16 . . . . 0.0 111.034 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' ALA . . . . . . . . . . . . . . . -145.09 121.13 10.73 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 0.784 . . . . 0.0 109.293 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' THR . . . . . 0.442 ' N ' ' O ' ' A' ' 54' ' ' ARG . 1.2 m -89.86 146.85 24.14 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.472 1.108 . . . . 0.0 110.387 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.572 HG12 HD13 ' A' ' 52' ' ' ILE . 3.8 m -139.91 152.47 22.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.519 1.137 . . . . 0.0 109.295 -179.993 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.424 ' CG ' ' CB ' ' A' ' 53' ' ' SER . 33.5 mtp180 -101.84 172.3 7.02 Favored 'General case' 0 C--N 1.325 -0.468 0 O-C-N 124.466 1.104 . . . . 0.0 110.28 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -109.94 98.27 7.61 Favored 'General case' 0 C--N 1.325 -0.484 0 O-C-N 124.533 1.146 . . . . 0.0 109.306 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . 0.559 ' O ' ' C ' ' A' ' 47' ' ' MET . 1.0 OUTLIER -81.49 164.6 21.88 Favored 'General case' 0 C--N 1.324 -0.516 0 O-C-N 124.514 1.134 . . . . 0.0 110.254 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' MET . . . . . 0.559 ' C ' ' O ' ' A' ' 46' ' ' GLU . 1.6 mmt -22.76 -58.55 0.03 OUTLIER 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.504 1.128 . . . . 0.0 110.953 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -151.19 22.53 0.74 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.513 1.133 . . . . 0.0 109.306 -179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' SER . . . . . . . . . . . . . 67.4 m -132.34 153.89 50.29 Favored 'General case' 0 C--N 1.325 -0.47 0 O-C-N 124.454 1.096 . . . . 0.0 110.04 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 90.1 t -106.08 100.3 10.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 O-C-N 124.548 1.155 . . . . 0.0 109.307 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.417 ' HA ' ' O ' ' A' ' 71' ' ' ASP . 2.7 mp -99.38 151.8 4.7 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 O-C-N 124.487 1.117 . . . . 0.0 109.33 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ILE . . . . . 0.572 HD13 HG12 ' A' ' 43' ' ' VAL . 13.8 mm -67.66 145.82 13.44 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 O-C-N 124.537 1.148 . . . . 0.0 109.331 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' SER . . . . . 0.424 ' CB ' ' CG ' ' A' ' 44' ' ' ARG . 1.2 p -115.4 -45.8 2.91 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.517 1.136 . . . . 0.0 109.966 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ARG . . . . . 0.464 ' CG ' ' N ' ' A' ' 55' ' ' ILE . 0.4 OUTLIER -157.24 160.96 39.16 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.477 1.111 . . . . 0.0 110.286 -179.985 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ILE . . . . . 0.464 ' N ' ' CG ' ' A' ' 54' ' ' ARG . 45.8 mm -121.88 121.92 65.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.475 0 O-C-N 124.492 1.12 . . . . 0.0 109.351 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' VAL . . . . . 0.41 ' HB ' ' CA ' ' A' ' 40' ' ' GLY . 13.0 t -82.36 136.74 22.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 O-C-N 124.496 1.123 . . . . 0.0 109.332 179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -82.33 112.69 19.54 Favored 'General case' 0 C--N 1.325 -0.466 0 O-C-N 124.455 1.097 . . . . 0.0 109.294 -179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' GLY . . . . . . . . . . . . . . . 131.74 -31.38 3.09 Favored Glycine 0 CA--C 1.53 0.989 0 O-C-N 124.477 1.111 . . . . 0.0 111.032 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . -66.83 -178.92 10.27 Favored Glycine 0 CA--C 1.53 1.027 0 N-CA-C 111.029 -0.829 . . . . 0.0 111.029 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ALA . . . . . 0.436 ' O ' ' OG ' ' A' ' 64' ' ' SER . . . -73.27 -46.73 48.12 Favored 'General case' 0 C--N 1.325 -0.496 0 O-C-N 124.489 0.758 . . . . 0.0 109.311 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' ALA . . . . . . . . . . . . . . . -46.11 -49.52 16.51 Favored 'General case' 0 C--N 1.325 -0.481 0 O-C-N 124.497 1.123 . . . . 0.0 109.305 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' GLU . . . . . 0.456 ' OE1' ' N ' ' A' ' 63' ' ' LYS . 0.5 OUTLIER -47.14 -73.84 0.04 OUTLIER 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.494 1.121 . . . . 0.0 110.286 -179.994 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' LYS . . . . . 0.456 ' N ' ' OE1' ' A' ' 62' ' ' GLU . 0.0 OUTLIER -39.42 -66.76 0.26 Allowed 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.495 1.122 . . . . 0.0 109.296 -179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' SER . . . . . 0.855 ' O ' HD22 ' A' ' 66' ' ' LEU . 0.1 OUTLIER -44.62 -46.2 9.97 Favored 'General case' 0 C--N 1.325 -0.486 0 O-C-N 124.488 1.117 . . . . 0.0 109.988 179.999 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . 60.25 12.98 26.53 Favored Glycine 0 CA--C 1.529 0.951 0 O-C-N 124.51 1.132 . . . . 0.0 111.021 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' LEU . . . . . 0.855 HD22 ' O ' ' A' ' 64' ' ' SER . 2.1 mm? -75.72 -22.19 56.8 Favored 'General case' 0 C--N 1.325 -0.478 0 O-C-N 124.486 0.757 . . . . 0.0 109.257 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LEU . . . . . 0.79 HD23 HD21 ' A' ' 104' ' ' LEU . 0.3 OUTLIER -103.53 132.99 49.31 Favored 'General case' 0 C--N 1.324 -0.5 0 O-C-N 124.494 1.121 . . . . 0.0 109.303 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' HIS . . . . . . . . . . . . . 31.6 m170 -134.63 142.75 46.98 Favored 'General case' 0 C--N 1.325 -0.485 0 O-C-N 124.481 1.113 . . . . 0.0 109.653 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 48.3 mt-10 -49.65 120.65 4.39 Favored 'General case' 0 C--N 1.324 -0.51 0 O-C-N 124.547 1.154 . . . . 0.0 110.306 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLY . . . . . . . . . . . . . . . 112.79 -2.66 25.96 Favored Glycine 0 CA--C 1.53 0.973 0 O-C-N 124.477 1.111 . . . . 0.0 110.997 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASP . . . . . 0.417 ' O ' ' HA ' ' A' ' 51' ' ' ILE . 1.0 OUTLIER -83.69 135.59 34.52 Favored 'General case' 0 C--N 1.324 -0.502 0 O-C-N 124.453 0.737 . . . . 0.0 109.312 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLU . . . . . 0.51 ' O ' ' CB ' ' A' ' 104' ' ' LEU . 35.4 tt0 -101.04 133.34 45.7 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.474 1.109 . . . . 0.0 110.263 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' VAL . . . . . 0.578 ' CG1' HG21 ' A' ' 81' ' ' ILE . 21.9 t -91.84 136.12 25.35 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 O-C-N 124.516 1.135 . . . . 0.0 109.287 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LEU . . . . . 0.607 HD12 HG12 ' A' ' 26' ' ' VAL . 48.2 mt -122.37 -47.75 2.11 Favored 'General case' 0 C--N 1.325 -0.461 0 O-C-N 124.46 1.1 . . . . 0.0 109.303 179.954 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLU . . . . . 0.41 ' HA ' ' O ' ' A' ' 79' ' ' ILE . 2.0 mt-10 -149.08 144.07 26.43 Favored 'General case' 0 C--N 1.325 -0.491 0 O-C-N 124.45 1.094 . . . . 0.0 110.296 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ILE . . . . . 0.749 HG21 HD21 ' A' ' 93' ' ' LEU . 33.8 mt -135.44 104.89 5.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.473 0 O-C-N 124.507 1.129 . . . . 0.0 109.294 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ASN . . . . . . . . . . . . . 1.2 t-20 74.51 4.45 4.43 Favored 'General case' 0 C--N 1.324 -0.507 0 O-C-N 124.47 1.106 . . . . 0.0 109.323 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLY . . . . . . . . . . . . . . . 117.76 -24.59 8.9 Favored Glycine 0 CA--C 1.53 1.003 0 O-C-N 124.478 1.111 . . . . 0.0 111.02 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' ILE . . . . . 0.41 ' O ' ' HA ' ' A' ' 75' ' ' GLU . 3.2 mp -71.25 139.21 20.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 O-C-N 124.533 0.784 . . . . 0.0 109.302 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 1.3 tt0 -74.84 148.05 40.58 Favored 'General case' 0 C--N 1.325 -0.499 0 O-C-N 124.502 1.126 . . . . 0.0 110.298 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . 0.578 HG21 ' CG1' ' A' ' 73' ' ' VAL . 2.7 mm -124.24 -44.81 1.6 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 O-C-N 124.518 1.136 . . . . 0.0 109.292 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.66 106.82 0.12 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.509 1.13 . . . . 0.0 110.281 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . 114.59 -26.44 9.55 Favored Glycine 0 CA--C 1.529 0.963 0 O-C-N 124.57 1.169 . . . . 0.0 111.012 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' LYS . . . . . . . . . . . . . 43.1 mttm -64.11 -172.22 0.06 Allowed 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.476 0.751 . . . . 0.0 109.28 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -120.65 161.8 20.76 Favored 'General case' 0 C--N 1.325 -0.471 0 O-C-N 124.492 1.12 . . . . 0.0 109.372 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' VAL . . . . . 0.572 HG12 HG23 ' A' ' 43' ' ' VAL . 35.5 m -54.23 -50.16 57.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 O-C-N 124.466 1.104 . . . . 0.0 109.274 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ASN . . . . . 0.473 ' N ' HG23 ' A' ' 86' ' ' VAL . 0.3 OUTLIER -56.67 -47.64 79.38 Favored 'General case' 0 C--N 1.325 -0.49 0 O-C-N 124.517 1.136 . . . . 0.0 109.323 179.991 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' GLU . . . . . 0.547 ' O ' HD12 ' A' ' 92' ' ' LEU . 0.0 OUTLIER -58.3 -51.91 67.82 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.533 1.146 . . . . 0.0 110.321 179.965 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.565 HG22 HG23 ' A' ' 81' ' ' ILE . 38.8 t -56.08 -43.74 76.59 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 O-C-N 124.511 1.132 . . . . 0.0 109.288 -179.964 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' PHE . . . . . 0.522 ' CE2' ' HB ' ' A' ' 86' ' ' VAL . 21.2 m-85 -66.17 -60.75 2.5 Favored 'General case' 0 C--N 1.325 -0.464 0 O-C-N 124.47 1.106 . . . . 0.0 110.991 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -50.9 -33.03 22.45 Favored 'General case' 0 C--N 1.324 -0.501 0 O-C-N 124.552 1.157 . . . . 0.0 109.337 -179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.547 HD12 ' O ' ' A' ' 88' ' ' GLU . 0.4 OUTLIER -58.85 -71.33 0.12 Allowed 'General case' 0 C--N 1.326 -0.456 0 O-C-N 124.496 1.122 . . . . 0.0 109.272 179.981 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' LEU . . . . . 0.749 HD21 HG21 ' A' ' 76' ' ' ILE . 52.4 mt -48.52 -52.08 24.3 Favored 'General case' 0 C--N 1.325 -0.494 0 O-C-N 124.499 1.124 . . . . 0.0 109.318 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' SER . . . . . . . . . . . . . 0.2 OUTLIER -39.23 -50.1 1.93 Allowed 'General case' 0 C--N 1.325 -0.483 0 O-C-N 124.528 1.142 . . . . 0.0 110.003 -179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -65.54 -42.42 91.96 Favored 'General case' 0 C--N 1.325 -0.465 0 O-C-N 124.528 1.142 . . . . 0.0 109.267 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' MET . . . . . 0.461 ' N ' ' O ' ' A' ' 93' ' ' LEU . 20.4 mtm -76.34 167.31 22.08 Favored 'General case' 0 C--N 1.325 -0.467 0 O-C-N 124.507 1.13 . . . . 0.0 110.997 -179.965 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' HIS . . . . . . . . . . . . . 1.4 p80 -165.93 166.64 17.32 Favored 'General case' 0 C--N 1.325 -0.473 0 O-C-N 124.482 1.114 . . . . 0.0 109.592 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLY . . . . . 0.443 ' N ' ' O ' ' A' ' 33' ' ' LYS . . . 85.27 -166.85 40.7 Favored Glycine 0 CA--C 1.53 1.002 0 O-C-N 124.455 1.097 . . . . 0.0 110.977 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' THR . . . . . 0.4 ' HA ' ' O ' ' A' ' 31' ' ' ILE . 21.9 m -65.67 97.53 0.33 Allowed 'General case' 0 C--N 1.324 -0.505 0 O-C-N 124.498 0.763 . . . . 0.0 110.406 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -93.6 149.96 20.81 Favored 'General case' 0 C--N 1.326 -0.443 0 O-C-N 124.467 1.104 . . . . 0.0 109.268 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' THR . . . . . 0.606 HG23 HG23 ' A' ' 28' ' ' ILE . 53.4 m -104.6 100.36 10.03 Favored 'General case' 0 C--N 1.325 -0.497 0 O-C-N 124.537 1.148 . . . . 0.0 110.411 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' PHE . . . . . 0.623 ' HB2' HG23 ' A' ' 29' ' ' VAL . 51.2 m-85 -87.42 121.67 30.16 Favored 'General case' 0 C--N 1.325 -0.477 0 O-C-N 124.527 1.142 . . . . 0.0 111.0 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' VAL . . . . . 0.578 HG22 HG13 ' A' ' 28' ' ' ILE . 62.1 t -107.3 94.82 3.33 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 O-C-N 124.522 1.139 . . . . 0.0 109.267 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' LEU . . . . . 0.79 HD21 HD23 ' A' ' 67' ' ' LEU . 0.3 OUTLIER -136.22 164.18 28.68 Favored 'General case' 0 C--N 1.325 -0.457 0 O-C-N 124.466 1.104 . . . . 0.0 109.331 179.961 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ILE . . . . . 0.409 HD11 HD11 ' A' ' 74' ' ' LEU . 16.0 mt -112.02 130.33 23.35 Favored Pre-proline 0 C--N 1.325 -0.491 0 O-C-N 124.509 1.131 . . . . 0.0 109.304 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' PRO . . . . . . . . . . . . . 18.2 Cg_endo -74.97 118.84 5.42 Favored 'Trans proline' 0 C--N 1.359 1.122 0 O-C-N 124.469 1.773 . . . . 0.0 111.007 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' SER . . . . . . . . . . . . . 46.6 t -80.9 79.18 7.62 Favored 'General case' 0 C--N 1.325 -0.48 0 O-C-N 124.474 1.109 . . . . 0.0 110.016 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' SER . . . . . . . . . . . . . 1.1 m -79.13 53.2 1.41 Allowed 'General case' 0 C--N 1.325 -0.479 0 O-C-N 124.506 1.129 . . . . 0.0 109.963 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' GLY . . . . . . . . . . . . . . . -134.62 78.99 0.34 Allowed Glycine 0 CA--C 1.53 1.004 0 O-C-N 124.435 1.084 . . . . 0.0 111.038 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PRO . . . . . . . . . . . . . 18.3 Cg_endo -74.93 104.19 1.86 Allowed 'Trans proline' 0 C--N 1.36 1.136 0 O-C-N 124.507 1.793 . . . . 0.0 111.017 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -130.5 -58.78 1.04 Allowed 'General case' 0 C--N 1.325 -0.489 0 O-C-N 124.457 1.098 . . . . 0.0 109.987 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' SER . . . . . . . . . . . . . 73.3 m -77.16 140.83 40.3 Favored 'General case' 0 C--N 1.325 -0.482 0 O-C-N 124.498 1.124 . . . . 0.0 110.01 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.53 1.02 0 O-C-N 124.483 1.114 . . . . 0.0 110.973 -179.962 . . . . . . . . 0 0 . 1 stop_ save_